ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00743
Compound Name27-deoxywithaferin A
Chemical ClassSteroids
Molecular Weight454.605
logP3.594
H-Bond Donor1.00
H-Bond Acceptor9
Caco-2 Permeability688.995
logSwat-5.564
Number of Primary Metabolites4
Polar Surface Area91.266
Rotatable Bonds3
logKhsa0.533
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.499
Blood Brain Barrier (logBB)-0.772
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2361
NPACT   -
TaxKB   -
Structure Download

 






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