• CyclodexDB

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MW
Rot. bonds
Fsp3
Complex
LogP
H-bond donors
H-bond acceptors
TPSA

Molecular weight

Number of rotatable bonds

Fraction of sp3 carbons

Fraction od sp3 carbons is calculated as (#sp3 carbons)/(#all carbons).

Molecular complexity

Molecular complexity is calculated as number of bits set to ON in molecular fingerprint.

LogP

H-bond donors

H-bond acceptors

Polar surface area

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