Ligand id: 367

Name: tiotropium

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 115.54
Molecular weight 392.1
XLogP 1.93
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Disse B, Reichl R, Speck G, Traunecker W, Ludwig Rominger KL, Hammer R. (1993)
Ba 679 BR, a novel long-acting anticholinergic bronchodilator.
Life Sci., 52 (5-6): 537-44. [PMID:8441333]
2. Dowling MR, Charlton SJ. (2006)
Quantifying the association and dissociation rates of unlabelled antagonists at the muscarinic M(3) receptor.
Br J Pharmacol, 148: 927-937. [PMID:16847442]