ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04757
Compound Name5-O-caffeoylshikimic acid
Chemical ClassOrganic Chemicals
Molecular Weight336.298
logP-0.173
H-Bond Donor5.00
H-Bond Acceptor9
Caco-2 Permeability1.473
logSwat-2.378
Number of Primary Metabolites5
Polar Surface Area174.373
Rotatable Bonds9
logKhsa-0.832
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids1
loghERG-2.971
Blood Brain Barrier (logBB)-3.165
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT01099
TaxKB   -
Structure Download

 






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