ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03686
Compound NameWithangulatin I
Chemical ClassSteroids
Molecular Weight524.610
logP2.679
H-Bond Donor1.00
H-Bond Acceptor12
Caco-2 Permeability127.886
logSwat-5.043
Number of Primary Metabolites6
Polar Surface Area150.150
Rotatable Bonds4
logKhsa0.239
Number of Reactive Functional Groups4
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.500
Blood Brain Barrier (logBB)-1.556
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations0
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol3141
NPACT   -
TaxKB   -
Structure Download

 






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