ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02431
Compound Name(2S)-5-Hydroxy-7-methoxy-8-[(E)-3-oxo-1-butenyl]flavanone
Chemical ClassFlavonoids
Molecular Weight338.359
logP3.214
H-Bond Donor0.00
H-Bond Acceptor5
Caco-2 Permeability454.020
logSwat-4.574
Number of Primary Metabolites5
Polar Surface Area88.621
Rotatable Bonds5
logKhsa0.189
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.649
Blood Brain Barrier (logBB)-1.144
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1181
NPACT   -
TaxKB   -
Structure Download

 






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