ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00691
Compound Name(6Z,9Z,12Z)-pentadecatrien-2-one
Chemical ClassOxygen heterocycles
Molecular Weight220.354
logP4.045
H-Bond Donor0.00
H-Bond Acceptor2
Caco-2 Permeability3471.456
logSwat-3.459
Number of Primary Metabolites5
Polar Surface Area28.053
Rotatable Bonds9
logKhsa0.367
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.604
Blood Brain Barrier (logBB)-0.385
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2215
NPACT   -
TaxKB   -
Structure Download

 






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