compound 3 [PMID: 19191557]

Ligand id: 3126

Name: compound 3 [PMID: 19191557]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 146
Molecular weight 434.03
XLogP 5.21
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Song Y, Lin FY, Yin F, Hensler M, RodrĂ­gues Poveda CA, Mukkamala D, Cao R, Wang H, Morita CT, González Pacanowska D et al.. (2009)
Phosphonosulfonates are potent, selective inhibitors of dehydrosqualene synthase and staphyloxanthin biosynthesis in Staphylococcus aureus.
J. Med. Chem., 52 (4): 976-88. [PMID:19191557]