ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03775
Compound Namegabunine
Chemical ClassOrganic Chemicals
Molecular Weight707.007
logP4.996
H-Bond Donor1.00
H-Bond Acceptor10
Caco-2 Permeability10.432
logSwat-4.493
Number of Primary Metabolites4
Polar Surface Area100.603
Rotatable Bonds4
logKhsa1.976
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines4
Number of Acids0
loghERG-7.669
Blood Brain Barrier (logBB)-0.156
CNS Permeability1
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol3309
NPACT   -
TaxKB   -
Structure Download

 






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