ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03317
Compound Name5-[2-(4-{5-[2-(3,5-Dihydroxyphenyl)ethyl]-2-hydroxyphenoxy}phenyl)ethyl]benzene-1,3-diol
Chemical ClassUnknown
Molecular Weight458.510
logP4.378
H-Bond Donor5.00
H-Bond Acceptor4
Caco-2 Permeability35.102
logSwat-6.333
Number of Primary Metabolites9
Polar Surface Area118.894
Rotatable Bonds13
logKhsa0.714
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-7.271
Blood Brain Barrier (logBB)-3.151
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol2494
NPACT   -
TaxKB   -
Structure Download

 






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