ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03312
Compound Name5,7-dihydroxy-6-(2',4'-dihydroxy-3'-acetyl-5'-methyl-6'-methoxybenzyl)-8 - isobutyryl-2,2-dimethylchromene
Chemical ClassBenzopyranoids
Molecular Weight470.518
logP5.031
H-Bond Donor1.00
H-Bond Acceptor6
Caco-2 Permeability427.874
logSwat-6.261
Number of Primary Metabolites8
Polar Surface Area133.175
Rotatable Bonds10
logKhsa0.983
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.965
Blood Brain Barrier (logBB)-1.484
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations2
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2485
NPACT   -
TaxKB   -
Structure Download

 






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