compound 4 [Brinkman et al., 1996]

Ligand id: 3097

Name: compound 4 [Brinkman et al., 1996]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 30.49
Molecular weight 361.2
XLogP 5.34
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Brinkman JA, Damon RE, Fell JB, Perez LB, Scallen TJ, Vedamanda TR. (1996)
Squalene synthase inhibitors: isosteric replacements of the farnesyl chain of benzyl farnesyl amine.
Bioorg. Med. Chem. Lett., 6 (21): 2491-2494.