chlorthalidone

Ligand id: 7147

Name: chlorthalidone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 121.36
Molecular weight 338.01
XLogP 1.82
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Temperini C, Cecchi A, Scozzafava A, Supuran CT. (2009)
Carbonic anhydrase inhibitors. Comparison of chlorthalidone, indapamide, trichloromethiazide, and furosemide X-ray crystal structures in adducts with isozyme II, when several water molecules make the difference.
Bioorg. Med. Chem.17 (3): 1214-21. [PMID:19119014]