ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02721
Compound Name3,4-Di-O-caffeoylquinic acid
Chemical ClassOrganic Chemicals
Molecular Weight516.457
logP0.764
H-Bond Donor7.00
H-Bond Acceptor11
Caco-2 Permeability0.195
logSwat-4.422
Number of Primary Metabolites6
Polar Surface Area243.264
Rotatable Bonds15
logKhsa-0.639
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids1
loghERG-4.909
Blood Brain Barrier (logBB)-5.406
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol1546
NPACT   -
TaxKB   -
Structure Download

 






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