ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00620
Compound NameKhellactone
Chemical ClassBenzopyranoids
Molecular Weight262.262
logP0.894
H-Bond Donor2.00
H-Bond Acceptor7
Caco-2 Permeability480.287
logSwat-2.614
Number of Primary Metabolites2
Polar Surface Area86.722
Rotatable Bonds2
logKhsa-0.394
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.223
Blood Brain Barrier (logBB)-0.737
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2014
NPACT   -
TaxKB   -
Structure Download

 






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