ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00472
Compound Name2,3-Dihydroxy-2-methyl-butyolactone
Chemical ClassOxygen heterocycles
Molecular Weight132.116
logP-0.835
H-Bond Donor2.00
H-Bond Acceptor5
Caco-2 Permeability468.744
logSwat-0.381
Number of Primary Metabolites2
Polar Surface Area81.723
Rotatable Bonds2
logKhsa-0.844
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-1.928
Blood Brain Barrier (logBB)-0.536
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1658
NPACT   -
TaxKB   -
Structure Download

 






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