compound 4 [PMID: 8576905]

Ligand id: 3129

Name: compound 4 [PMID: 8576905]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 12
Topological polar surface area 138.58
Molecular weight 405.15
XLogP 3.44
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Magnin DR, Biller SA, Chen Y, Dickson JK, Fryszman OM, Lawrence RM, Logan JV, Sieber-McMaster ES, Sulsky RB, Traeger SC et al.. (1996)
alpha-Phosphonosulfonic acids: potent and selective inhibitors of squalene synthase.
J. Med. Chem., 39 (3): 657-60. [PMID:8576905]