ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04989
Compound Name7-Hydroxy-8-methoxy-3-(4?-hydroxybenzyl)coumarin
Chemical ClassBenzopyranoids
Molecular Weight298.295
logP2.279
H-Bond Donor2.00
H-Bond Acceptor5
Caco-2 Permeability344.585
logSwat-3.627
Number of Primary Metabolites4
Polar Surface Area89.322
Rotatable Bonds5
logKhsa-0.003
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.111
Blood Brain Barrier (logBB)-1.145
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT01435
TaxKB   -
Structure Download

 






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