varenicline

Ligand id: 5459

Name: varenicline

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 37.81
Molecular weight 211.11
XLogP 1.2
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Coe JW, Brooks PR, Wirtz MC, Bashore CG, Bianco KE, Vetelino MG, Arnold EP, Lebel LA, Fox CB, Tingley 3rd FD et al.. (2005)
3,5-Bicyclic aryl piperidines: a novel class of alpha4beta2 neuronal nicotinic receptor partial agonists for smoking cessation.
Bioorg. Med. Chem. Lett.15 (22): 4889-97. [PMID:16171993]