ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03243
Compound Name3,4,5-tri-O-caffeoylquinic acid
Chemical ClassOrganic Chemicals
Molecular Weight678.602
logP1.688
H-Bond Donor8.00
H-Bond Acceptor13
Caco-2 Permeability0.046
logSwat-4.760
Number of Primary Metabolites7
Polar Surface Area300.306
Rotatable Bonds20
logKhsa-0.353
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines0
Number of Acids1
loghERG-5.194
Blood Brain Barrier (logBB)-6.331
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol2374
NPACT   -
TaxKB   -
Structure Download

 






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