ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03685
Compound NameWithangulatin B
Chemical ClassSteroids
Molecular Weight518.603
logP1.440
H-Bond Donor5.00
H-Bond Acceptor13
Caco-2 Permeability129.006
logSwat-3.862
Number of Primary Metabolites8
Polar Surface Area152.884
Rotatable Bonds7
logKhsa-0.108
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.066
Blood Brain Barrier (logBB)-1.626
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol3140
NPACT   -
TaxKB   -
Structure Download

 






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