ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00933
Compound Nameisoaltholactone
Chemical ClassOxygen heterocycles
Molecular Weight232.235
logP0.959
H-Bond Donor1.00
H-Bond Acceptor6
Caco-2 Permeability1283.976
logSwat-1.999
Number of Primary Metabolites5
Polar Surface Area67.066
Rotatable Bonds1
logKhsa-0.560
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.327
Blood Brain Barrier (logBB)-0.260
CNS Permeability0
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol3372
NPACT   -
TaxKB   -
Structure Download

 






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