ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00077
Compound Namelinalyl acetate
Chemical ClassTerpenoids
Molecular Weight196.289
logP3.200
H-Bond Donor0.00
H-Bond Acceptor2
Caco-2 Permeability1954.740
logSwat-3.652
Number of Primary Metabolites3
Polar Surface Area37.184
Rotatable Bonds5
logKhsa0.246
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.979
Blood Brain Barrier (logBB)-0.404
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol0280
NPACT   -
TaxKB   -
Structure Download

 






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