ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID05080
Compound Name3-O-caffeoyl-quinic acid methyl ester
Chemical ClassOrganic Chemicals
Molecular Weight368.340
logP0.079
H-Bond Donor5.00
H-Bond Acceptor10
Caco-2 Permeability15.158
logSwat-3.290
Number of Primary Metabolites5
Polar Surface Area174.250
Rotatable Bonds10
logKhsa-0.592
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.476
Blood Brain Barrier (logBB)-3.138
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT01568
TaxKB   -
Structure Download

 






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