ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00251
Compound Name1-(7-hydroxy-2,6-dimethyl-1-naphthyl)-4-methyl-3-pentanone
Chemical ClassTerpenoids
Molecular Weight270.371
logP3.893
H-Bond Donor1.00
H-Bond Acceptor3
Caco-2 Permeability1901.636
logSwat-4.554
Number of Primary Metabolites6
Polar Surface Area47.119
Rotatable Bonds5
logKhsa0.540
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.440
Blood Brain Barrier (logBB)-0.419
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol0581
NPACT   -
TaxKB   -
Structure Download

 






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