ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03988
Compound Name1,2,4-trihydroxyheptadec-16-yne
Chemical ClassPolyketides
Molecular Weight284.438
logP3.217
H-Bond Donor3.50
H-Bond Acceptor5
Caco-2 Permeability608.368
logSwat-3.788
Number of Primary Metabolites4
Polar Surface Area63.948
Rotatable Bonds18
logKhsa-0.155
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.507
Blood Brain Barrier (logBB)-1.950
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT00023
TaxKB   -
Structure Download

 






Copyright © 2018. Subhash M. Agarwal. All Rights Reserved.