ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01076
Compound NameBeta-Ionone
Chemical ClassTerpenoids
Molecular Weight192.300
logP3.111
H-Bond Donor0.00
H-Bond Acceptor2
Caco-2 Permeability3430.279
logSwat-3.450
Number of Primary Metabolites2
Polar Surface Area29.091
Rotatable Bonds3
logKhsa0.234
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.346
Blood Brain Barrier (logBB)-0.027
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00324
TaxKB   -
Structure Download

 






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