ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04095
Compound Name5-O-beta-D-glucopyranosyl-4-(4-hydroxyphenyl)-7-methoxy-2H-chromen-2-one
Chemical ClassBenzopyranoids
Molecular Weight446.410
logP-0.235
H-Bond Donor5.00
H-Bond Acceptor13
Caco-2 Permeability32.045
logSwat-2.598
Number of Primary Metabolites6
Polar Surface Area167.688
Rotatable Bonds10
logKhsa-0.759
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.040
Blood Brain Barrier (logBB)-2.499
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT00180
TaxKB   -
Structure Download

 






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