compound 1 [Overhand et al., 1997]

Ligand id: 3065

Name: compound 1 [Overhand et al., 1997]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 10
Topological polar surface area 146
Molecular weight 376.12
XLogP 1.89
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Overhand M, Pieterman E, Cohen LH, Valentijn ARPM, van der Marel GA, van Boom JH. (1997)
Synthesis of triphosphonate analogues of farnesyl pyrophosphate. Inhibitors of squalene synthase and protein:farnesyl transferase.
Bioorg. Med. Chem. Lett.7 (18): 2435-2440.