ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03156
Compound Name1,1'-disinomenine
Chemical ClassAlkaloids
Molecular Weight656.774
logP3.285
H-Bond Donor2.00
H-Bond Acceptor13
Caco-2 Permeability29.902
logSwat-3.890
Number of Primary Metabolites14
Polar Surface Area128.597
Rotatable Bonds7
logKhsa0.692
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines2
Number of Acids0
loghERG-6.331
Blood Brain Barrier (logBB)-0.449
CNS Permeability1
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2227
NPACT   -
TaxKB   -
Structure Download

 






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