ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04017
Compound Name2-[10(Z)-heptadecenyl]-1,4-hydroquinone
Chemical ClassFlavonoids
Molecular Weight346.552
logP6.766
H-Bond Donor2.00
H-Bond Acceptor2
Caco-2 Permeability1237.125
logSwat-7.505
Number of Primary Metabolites5
Polar Surface Area43.296
Rotatable Bonds17
logKhsa1.325
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-6.264
Blood Brain Barrier (logBB)-1.595
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT00068
TaxKB   -
Structure Download

 






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