ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03737
Compound Namechirat-16-en-3-one
Chemical ClassTerpenoids
Molecular Weight426.724
logP7.081
H-Bond Donor0.00
H-Bond Acceptor2
Caco-2 Permeability4382.422
logSwat-8.246
Number of Primary Metabolites1
Polar Surface Area24.686
Rotatable Bonds0
logKhsa2.096
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.641
Blood Brain Barrier (logBB)0.234
CNS Permeability1
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol3224
NPACT   -
TaxKB   -
Structure Download

 






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