ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04726
Compound Name(2S)-5-hydroxy-7-methoxy-8-[(E)-3-oxo-1-butenyl]flavanone
Chemical ClassFlavonoids
Molecular Weight338.359
logP3.238
H-Bond Donor0.00
H-Bond Acceptor5
Caco-2 Permeability462.360
logSwat-4.610
Number of Primary Metabolites5
Polar Surface Area88.672
Rotatable Bonds5
logKhsa0.198
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.664
Blood Brain Barrier (logBB)-1.139
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT01049
TaxKB   -
Structure Download

 






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