ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01049
Compound Name5-methoxypsoralen
Chemical ClassBenzopyranoids
Molecular Weight216.193
logP1.435
H-Bond Donor0.00
H-Bond Acceptor4
Caco-2 Permeability2055.758
logSwat-1.321
Number of Primary Metabolites2
Polar Surface Area57.414
Rotatable Bonds1
logKhsa-0.561
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.530
Blood Brain Barrier (logBB)-0.035
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00178
TaxKB   -
Structure Download

 






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