ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03092
Compound Name4,4'-O-Dimthylellagic acid 3-(2'',3''-di-O-acetyl)-alpha-L-rhamnoside
Chemical ClassOrganic Chemicals
Molecular Weight560.467
logP0.597
H-Bond Donor2.00
H-Bond Acceptor15
Caco-2 Permeability18.561
logSwat-4.352
Number of Primary Metabolites4
Polar Surface Area219.806
Rotatable Bonds8
logKhsa-0.565
Number of Reactive Functional Groups5
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.457
Blood Brain Barrier (logBB)-3.041
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol2123
NPACT   -
TaxKB   -
Structure Download

 






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