OpenMolDB

N-octyl-

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
113.22	0	0	3.18				NT_b0176	None		Not checked

SMILES: [CH2]CCCCCCC

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[N-octyl-]	3.23	1.90	7.0	25.0	surface plasmon resonance (SPR)	Susan E. Brown 2003
[b-Cyclodextrin](1).[N-octyl-]	2.89	1.48	7.0	25.0	surface plasmon resonance (SPR)	Susan E. Brown 2003
[g-Cyclodextrin](1).[N-octyl-]	2.30		7.0	25.0	surface plasmon resonance (SPR)	Susan E. Brown 2003
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin isomeric purity >80 %](1).[N-octyl-]	2.81	1.70	7.0	25.0	surface plasmon resonance (SPR)	Susan E. Brown 2003
[MolecusolTM](1).[N-octyl-]	2.64	1.48	7.0	25.0	surface plasmon resonance (SPR)	Susan E. Brown 2003

N-phenethylphenothiazine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
303.42	2	0	5.60				JN_118	None		Not checked

SMILES: C(Cc1ccccc1)N2c3ccccc3Sc4ccccc24

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[N-phenethylphenothiazine]	2.32	1.28		25.0	UV-vis spectroscopy	Qing-Xiang Guo 1999

N-phenyl maleamic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
191.18	4	2	1.34				SF_C796	None		Not checked

SMILES: OC(=O)\C=C/C(=O)Nc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[N-phenyl maleamic acid]	1.69	0.48	2.0	25.0	UV-vis spectroscopy	Rita H. de Rossi 2001

N-phenylphenothiazine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
275.37	2	0	5.69				JN_116	None		Not checked

SMILES: S1c2ccccc2N(c3ccccc3)c4ccccc14

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[N-phenylphenothiazine]	2.10	1.00		25.0	UV-vis spectroscopy	Qing-Xiang Guo 1999

N-sulfamoyloxazolidinone derivative C-1

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C419	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[N-sulfamoyloxazolidinone derivative C-1]	2.78	1.70	1.0	25.0	UV-vis spectroscopy	Mekki Kadri 2005
[b-Cyclodextrin](1).[N-sulfamoyloxazolidinone derivative C-1]	2.79	1.60	4.3	25.0	UV-vis spectroscopy	Mekki Kadri 2005
[b-Cyclodextrin](1).[N-sulfamoyloxazolidinone derivative C-1]	4.04	1.90	7.4	25.0	UV-vis spectroscopy	Mekki Kadri 2005
[b-Cyclodextrin](1).[N-sulfamoyloxazolidinone derivative C-1]	4.04	1.00	8.5	25.0	UV-vis spectroscopy	Mekki Kadri 2005
[b-Cyclodextrin](1).[N-sulfamoyloxazolidinone derivative C-1]	3.98	1.85	11.0	25.0	UV-vis spectroscopy	Mekki Kadri 2005

N-sulfamoyloxazolidinone derivative C-2

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C420	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[N-sulfamoyloxazolidinone derivative C-2]	3.40	2.18	1.0	25.0	UV-vis spectroscopy	Mekki Kadri 2005
[b-Cyclodextrin](1).[N-sulfamoyloxazolidinone derivative C-2]	3.18	2.30	4.3	25.0	UV-vis spectroscopy	Mekki Kadri 2005
[b-Cyclodextrin](1).[N-sulfamoyloxazolidinone derivative C-2]	4.45	2.00	7.4	25.0	UV-vis spectroscopy	Mekki Kadri 2005
[b-Cyclodextrin](1).[N-sulfamoyloxazolidinone derivative C-2]	4.42	2.18	8.5	25.0	UV-vis spectroscopy	Mekki Kadri 2005
[b-Cyclodextrin](1).[N-sulfamoyloxazolidinone derivative C-2]	4.17	2.00	11.0	25.0	UV-vis spectroscopy	Mekki Kadri 2005

N-sulfamoyloxazolidinone derivative C-2

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C421	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

N-sulfamoyloxazolidinone derivative C-3

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C422	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[N-sulfamoyloxazolidinone derivative C-3]	2.81	1.48	1.0	25.0	UV-vis spectroscopy	Mekki Kadri 2005
[b-Cyclodextrin](1).[N-sulfamoyloxazolidinone derivative C-3]	2.99	1.85	4.3	25.0	UV-vis spectroscopy	Mekki Kadri 2005
[b-Cyclodextrin](1).[N-sulfamoyloxazolidinone derivative C-3]	4.20	2.04	7.4	25.0	UV-vis spectroscopy	Mekki Kadri 2005
[b-Cyclodextrin](1).[N-sulfamoyloxazolidinone derivative C-3]	4.18	1.70	8.5	25.0	UV-vis spectroscopy	Mekki Kadri 2005
[b-Cyclodextrin](1).[N-sulfamoyloxazolidinone derivative C-3]	4.08	1.85	11.0	25.0	UV-vis spectroscopy	Mekki Kadri 2005

N-sulfamoyloxazolidinone derivative C-3

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C423	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

N-sulfamoyloxazolidinone derivative C-4

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C424	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[N-sulfamoyloxazolidinone derivative C-4]	2.65	1.54	1.0	25.0	UV-vis spectroscopy	Mekki Kadri 2005
[b-Cyclodextrin](1).[N-sulfamoyloxazolidinone derivative C-4]	2.89	1.00	4.3	25.0	UV-vis spectroscopy	Mekki Kadri 2005
[b-Cyclodextrin](1).[N-sulfamoyloxazolidinone derivative C-4]	4.02	1.70	7.4	25.0	UV-vis spectroscopy	Mekki Kadri 2005
[b-Cyclodextrin](1).[N-sulfamoyloxazolidinone derivative C-4]	4.06	1.70	8.5	25.0	UV-vis spectroscopy	Mekki Kadri 2005
[b-Cyclodextrin](1).[N-sulfamoyloxazolidinone derivative C-4]	3.98	1.40	11.0	25.0	UV-vis spectroscopy	Mekki Kadri 2005

N-sulfamoyloxazolidinones

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
166.16	6	1	0.36				SF_C1226	None		Not checked

SMILES: O=S(N1C(OCC1)=O)(N)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[N-sulfamoyloxazolidinones]	2.78	1.70	1.0	25.0	UV-vis spectroscopy	Jean-Louis Montero 2005
[b-Cyclodextrin](1).[N-sulfamoyloxazolidinones]	2.79	1.60	4.3	25.0	UV-vis spectroscopy	Jean-Louis Montero 2005
[b-Cyclodextrin](1).[N-sulfamoyloxazolidinones]	4.04	1.90	7.4	25.0	UV-vis spectroscopy	Jean-Louis Montero 2005
[b-Cyclodextrin](1).[N-sulfamoyloxazolidinones]	4.04	1.00	8.5	25.0	UV-vis spectroscopy	Jean-Louis Montero 2005
[b-Cyclodextrin](1).[N-sulfamoyloxazolidinones]	3.98	1.85	11.0	25.0	UV-vis spectroscopy	Jean-Louis Montero 2005

N-sulfamoyloxazolidinones

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
166.16	6	1	0.36				SF_C1227	None		Not checked

SMILES: O=S(N1C(OCC1)=O)(N)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

N-sulfamoyloxazolidinones

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
166.16	6	1	0.36				SF_C1228	None		Not checked

SMILES: O=S(N1C(OCC1)=O)(N)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

N-sulfamoyloxazolidinones

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
166.16	6	1	0.36				SF_C1229	None		Not checked

SMILES: O=S(N1C(OCC1)=O)(N)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

N-sulfamoyloxazolidinones

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
166.16	6	1	0.36				SF_C1230	None		Not checked

SMILES: O=S(N1C(OCC1)=O)(N)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref