compound 2 [PMID: 18295483]

Ligand id: 3156

Name: compound 2 [PMID: 18295483]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 69.64
Molecular weight 390.19
XLogP 7.47
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Peukert S, Sun Y, Zhang R, Hurley B, Sabio M, Shen X, Gray C, Dzink-Fox J, Tao J, Cebula R et al.. (2008)
Design and structure-activity relationships of potent and selective inhibitors of undecaprenyl pyrophosphate synthase (UPPS): tetramic, tetronic acids and dihydropyridin-2-ones.
Bioorg. Med. Chem. Lett., 18 (6): 1840-4. [PMID:18295483]