ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01026
Compound Name2-methyl-3-hydroxy-4-pyrone
Chemical ClassOxygen heterocycles
Molecular Weight126.112
logP0.745
H-Bond Donor1.00
H-Bond Acceptor3
Caco-2 Permeability1025.752
logSwat-0.816
Number of Primary Metabolites2
Polar Surface Area58.356
Rotatable Bonds1
logKhsa-0.702
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-2.992
Blood Brain Barrier (logBB)-0.278
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00101
TaxKB   -
Structure Download

 






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