ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00602
Compound NameScopoletin
Chemical ClassBenzopyranoids
Molecular Weight192.171
logP0.854
H-Bond Donor1.00
H-Bond Acceptor4
Caco-2 Permeability632.791
logSwat-1.742
Number of Primary Metabolites2
Polar Surface Area70.602
Rotatable Bonds2
logKhsa-0.481
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.781
Blood Brain Barrier (logBB)-0.572
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1989
NPACT   -
TaxKB   -
Structure Download

 






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