ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID05050
Compound Name5-(8'Z,11'Z-heptadecadienyl)-1,3-benzenediol
Chemical ClassAliphatic natural products
Molecular Weight344.536
logP6.427
H-Bond Donor2.00
H-Bond Acceptor2
Caco-2 Permeability909.904
logSwat-6.915
Number of Primary Metabolites6
Polar Surface Area45.141
Rotatable Bonds16
logKhsa1.261
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.878
Blood Brain Barrier (logBB)-1.621
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT01524
TaxKB   -
Structure Download

 






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