ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00463
Compound Name(6Z,9Z,12Z)Pentadecatrien-2-one
Chemical ClassOxygen heterocycles
Molecular Weight220.354
logP4.071
H-Bond Donor0.00
H-Bond Acceptor2
Caco-2 Permeability4009.454
logSwat-3.521
Number of Primary Metabolites5
Polar Surface Area27.589
Rotatable Bonds9
logKhsa0.355
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.772
Blood Brain Barrier (logBB)-0.336
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1525
NPACT   -
TaxKB   -
Structure Download

 






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