ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00709
Compound Name12beta-O-acetyl-15alpha-hydoxy-3-oxo-17-en-20,21,22-23,24,25,26,27-octanordammanran
Chemical ClassTerpenoids
Molecular Weight388.546
logP3.556
H-Bond Donor1.00
H-Bond Acceptor6
Caco-2 Permeability509.981
logSwat-5.028
Number of Primary Metabolites3
Polar Surface Area84.164
Rotatable Bonds2
logKhsa0.692
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.609
Blood Brain Barrier (logBB)-0.696
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2272
NPACT   -
TaxKB   -
Structure Download

 






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