ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00594
Compound Name8-Formyl-7-methoxycoumarin
Chemical ClassBenzopyranoids
Molecular Weight204.182
logP0.316
H-Bond Donor0.00
H-Bond Acceptor5
Caco-2 Permeability439.917
logSwat-0.967
Number of Primary Metabolites1
Polar Surface Area81.632
Rotatable Bonds2
logKhsa-0.925
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.040
Blood Brain Barrier (logBB)-0.749
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1976
NPACT   -
TaxKB   -
Structure Download

 






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