ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03093
Compound Name4'-O-Mthylellagic acid 3-(2'',3''-di-O-acetyl)-alpha-L-rhamnoside
Chemical ClassOrganic Chemicals
Molecular Weight546.440
logP-0.039
H-Bond Donor3.00
H-Bond Acceptor15
Caco-2 Permeability8.618
logSwat-4.175
Number of Primary Metabolites4
Polar Surface Area234.142
Rotatable Bonds8
logKhsa-0.636
Number of Reactive Functional Groups5
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.505
Blood Brain Barrier (logBB)-3.408
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol2126
NPACT   -
TaxKB   -
Structure Download

 






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