ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00442
Compound Name19-Oxobufalin
Chemical ClassSteroids
Molecular Weight400.514
logP2.540
H-Bond Donor2.00
H-Bond Acceptor7
Caco-2 Permeability169.280
logSwat-4.448
Number of Primary Metabolites3
Polar Surface Area108.844
Rotatable Bonds3
logKhsa0.390
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.770
Blood Brain Barrier (logBB)-1.198
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1397
NPACT   -
TaxKB   -
Structure Download

 






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