ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00168
Compound Nameisohelenol
Chemical ClassTerpenoids
Molecular Weight278.304
logP0.491
H-Bond Donor0.00
H-Bond Acceptor6
Caco-2 Permeability174.494
logSwat-1.288
Number of Primary Metabolites4
Polar Surface Area108.136
Rotatable Bonds3
logKhsa-0.769
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.173
Blood Brain Barrier (logBB)-1.077
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol0455
NPACT   -
TaxKB   -
Structure Download

 






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