ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00721
Compound Name17-hydroxy-27-deoxywithaferin A
Chemical ClassSteroids
Molecular Weight470.605
logP3.127
H-Bond Donor2.00
H-Bond Acceptor9
Caco-2 Permeability480.827
logSwat-5.105
Number of Primary Metabolites5
Polar Surface Area107.206
Rotatable Bonds4
logKhsa0.403
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.307
Blood Brain Barrier (logBB)-0.952
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2293
NPACT   -
TaxKB   -
Structure Download

 






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