brucine N-oxide

Ligand id: 343

Name: brucine N-oxide

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 71.06
Molecular weight 410.18
XLogP -0.05
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Lazareno S, Gharagozloo P, Kuonen D, Popham A, Birdsall NJM. (1998)
Subtype selective positive cooperative interactions between brucine analogues and acetylcholine at muscarinic receptors, radioligand binding studies.
Mol. Pharmacol., 53: 573-589. [PMID:9495826]