ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00579
Compound NameApetalic acid methyl ester
Chemical ClassFlavonoids
Molecular Weight402.486
logP4.432
H-Bond Donor0.00
H-Bond Acceptor5
Caco-2 Permeability1051.525
logSwat-5.104
Number of Primary Metabolites4
Polar Surface Area88.259
Rotatable Bonds6
logKhsa0.664
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.197
Blood Brain Barrier (logBB)-0.735
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1949
NPACT   -
TaxKB   -
Structure Download

 






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