compound (S)-3h [PMID: 15686947]

Ligand id: 712

Name: compound (S)-3h [PMID: 15686947]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 56.49
Molecular weight 370.14
XLogP 5.21
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Yang W, Wang Y, Roberge JY, Ma Z, Liu Y, Michael Lawrence R, Rotella DP, Seethala R, Feyen JH, Dickson JK. (2005)
Discovery and structure-activity relationships of 2-benzylpyrrolidine-substituted aryloxypropanols as calcium-sensing receptor antagonists.
Bioorg Med Chem Lett, 15: 1225-1228. [PMID:15686947]