compound 31 [PMID: 17963374]

Ligand id: 3152

Name: compound 31 [PMID: 17963374]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 13
Topological polar surface area 137.51
Molecular weight 376.12
XLogP 2.68
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Zhang Y, Hudock MP, Krysiak K, Cao R, Bergan K, Yin F, Leon A, Oldfield E. (2007)
Activity of sulfonium bisphosphonates on tumor cell lines.
J. Med. Chem., 50 (24): 6067-79. [PMID:17963374]