ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01081
Compound NameBrucine N-oxide
Chemical ClassAlkaloids
Molecular Weight410.469
logP1.805
H-Bond Donor0.00
H-Bond Acceptor9
Caco-2 Permeability1857.608
logSwat-0.537
Number of Primary Metabolites7
Polar Surface Area71.869
Rotatable Bonds2
logKhsa-0.605
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.779
Blood Brain Barrier (logBB)-0.225
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00347
TaxKB   -
Structure Download

 






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