ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03031
Compound NamePsoralen
Chemical ClassOxygen heterocycles
Molecular Weight186.167
logP0.955
H-Bond Donor0.00
H-Bond Acceptor3
Caco-2 Permeability2056.091
logSwat-1.189
Number of Primary Metabolites1
Polar Surface Area49.587
Rotatable Bonds0
logKhsa-0.513
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.818
Blood Brain Barrier (logBB)0.023
CNS Permeability1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2002
NPACT   -
TaxKB   -
Structure Download

 






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