compound 5e [PMID: 17975902]

Ligand id: 3169

Name: compound 5e [PMID: 17975902]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 4
Topological polar surface area 147.57
Molecular weight 285
XLogP -1.85
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Marma MS, Xia Z, Stewart C, Coxon F, Dunford JE, Baron R, Kashemirov BA, Ebetino FH, Triffitt JT, Russell RG et al.. (2007)
Synthesis and biological evaluation of alpha-halogenated bisphosphonate and phosphonocarboxylate analogues of risedronate.
J. Med. Chem., 50 (24): 5967-75. [PMID:17975902]