ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00247
Compound Nameanticancer diterpenoid PMV70P691-74
Chemical ClassTerpenoids
Molecular Weight316.439
logP3.841
H-Bond Donor1.00
H-Bond Acceptor4
Caco-2 Permeability167.278
logSwat-4.719
Number of Primary Metabolites3
Polar Surface Area71.129
Rotatable Bonds2
logKhsa0.443
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids1
loghERG-1.739
Blood Brain Barrier (logBB)-0.610
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol0571
NPACT   -
TaxKB   -
Structure Download

 






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