ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01750
Compound Namebenzosimuline
Chemical ClassAlkaloids
Molecular Weight305.376
logP4.232
H-Bond Donor0.00
H-Bond Acceptor4
Caco-2 Permeability4488.736
logSwat-4.860
Number of Primary Metabolites1
Polar Surface Area32.413
Rotatable Bonds0
logKhsa0.607
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.405
Blood Brain Barrier (logBB)0.216
CNS Permeability1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol0100
NPACT   -
TaxKB   -
Structure Download

 






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