ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID05025
Compound NameIsotylocrebrine
Chemical ClassAlkaloids
Molecular Weight393.482
logP4.342
H-Bond Donor0.00
H-Bond Acceptor5
Caco-2 Permeability2204.616
logSwat-4.652
Number of Primary Metabolites6
Polar Surface Area34.303
Rotatable Bonds4
logKhsa0.674
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines1
Number of Acids0
loghERG-5.317
Blood Brain Barrier (logBB)0.672
CNS Permeability2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT01492
TaxKB   -
Structure Download

 






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