ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03683
Compound NameWithagulatin A
Chemical ClassSteroids
Molecular Weight526.625
logP2.653
H-Bond Donor2.00
H-Bond Acceptor11
Caco-2 Permeability112.435
logSwat-5.310
Number of Primary Metabolites7
Polar Surface Area145.315
Rotatable Bonds5
logKhsa0.303
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.647
Blood Brain Barrier (logBB)-1.721
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol3138
NPACT   -
TaxKB   -
Structure Download

 






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