ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03991
Compound Name1-[3-(4-hydroxyphenyl)-2-propenoate]-beta-D-glucopyranoside
Chemical ClassUnknown
Molecular Weight340.329
logP-1.222
H-Bond Donor5.00
H-Bond Acceptor13
Caco-2 Permeability20.817
logSwat-2.005
Number of Primary Metabolites6
Polar Surface Area153.778
Rotatable Bonds12
logKhsa-1.174
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.567
Blood Brain Barrier (logBB)-3.070
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT00028
TaxKB   -
Structure Download

 






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