ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02691
Compound NameAnticancer Withanolide PMV70-P691-045
Chemical ClassSteroids
Molecular Weight504.619
logP2.045
H-Bond Donor3.00
H-Bond Acceptor12
Caco-2 Permeability286.660
logSwat-4.709
Number of Primary Metabolites5
Polar Surface Area130.936
Rotatable Bonds3
logKhsa0.138
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.843
Blood Brain Barrier (logBB)-1.089
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1502
NPACT   -
TaxKB   -
Structure Download

 






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