compound 3 [Dreyer et al., 1991]

Ligand id: 7993

Name: compound 3 [Dreyer et al., 1991]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 113.87
Molecular weight 446.05
XLogP 3.77
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Dreyer GB, Garvie CT, Metcalf BW, Meek TD, Mayer RJ. (1991)
Phosphinic acid inhibitors of 3-hydroxy-3-methylglutaryl-coenzyme a reductase.
Bioorg. Med. Chem. Lett.1 (3): 152-154.