ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00694
Compound Name(E)-p-ethyl coumarate
Chemical ClassUnknown
Molecular Weight192.214
logP2.122
H-Bond Donor1.00
H-Bond Acceptor3
Caco-2 Permeability1134.133
logSwat-2.797
Number of Primary Metabolites1
Polar Surface Area56.484
Rotatable Bonds5
logKhsa-0.136
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.825
Blood Brain Barrier (logBB)-0.660
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2218
NPACT   -
TaxKB   -
Structure Download

 






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