ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03987
Compound Name1,2,4-trihydroxyheptadec-16-ene
Chemical ClassPolyketides
Molecular Weight286.454
logP3.487
H-Bond Donor3.00
H-Bond Acceptor5
Caco-2 Permeability609.111
logSwat-4.152
Number of Primary Metabolites4
Polar Surface Area63.938
Rotatable Bonds18
logKhsa-0.031
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.488
Blood Brain Barrier (logBB)-1.963
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT00022
TaxKB   -
Structure Download

 






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