ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00456
Compound NameAnticancer Withanolide PMV70-P691-149
Chemical ClassSteroids
Molecular Weight472.620
logP3.193
H-Bond Donor2.00
H-Bond Acceptor9
Caco-2 Permeability397.138
logSwat-5.250
Number of Primary Metabolites3
Polar Surface Area107.689
Rotatable Bonds4
logKhsa0.458
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.303
Blood Brain Barrier (logBB)-1.038
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1508
NPACT   -
TaxKB   -
Structure Download

 






Copyright © 2018. Subhash M. Agarwal. All Rights Reserved.