ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00461
Compound NameWithanone
Chemical ClassSteroids
Molecular Weight470.605
logP3.500
H-Bond Donor2.00
H-Bond Acceptor9
Caco-2 Permeability545.816
logSwat-5.213
Number of Primary Metabolites6
Polar Surface Area103.593
Rotatable Bonds4
logKhsa0.565
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.089
Blood Brain Barrier (logBB)-0.866
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1515
NPACT   -
TaxKB   -
Structure Download

 






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