ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03941
Compound Namealpha,beta-dihydro-3',6-dihydroxy-2,4,6'-trimethoxy-3-(3'',4''-dihydroxybenzyl)chalcone
Chemical ClassOrganic Chemicals
Molecular Weight454.476
logP2.670
H-Bond Donor4.00
H-Bond Acceptor7
Caco-2 Permeability140.313
logSwat-3.014
Number of Primary Metabolites10
Polar Surface Area130.099
Rotatable Bonds13
logKhsa0.041
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.175
Blood Brain Barrier (logBB)-1.863
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol3650
NPACT   -
TaxKB   -
Structure Download

 






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