ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02601
Compound Name(22S)-Cholest-5-ene-3beta,11alpha,16beta,22-tetrol 16-O-[2-O-acetyl-3-O-(p-methoxybenzoyl)-alpha-L-rhamnopyranoside]
Chemical ClassUnknown
Molecular Weight756.972
logP5.320
H-Bond Donor4.00
H-Bond Acceptor15
Caco-2 Permeability68.266
logSwat-8.006
Number of Primary Metabolites7
Polar Surface Area172.224
Rotatable Bonds15
logKhsa0.967
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-6.190
Blood Brain Barrier (logBB)-3.026
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol1404
NPACT   -
TaxKB   -
Structure Download

 






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