compound 21 [PMID: 7473541]

Ligand id: 3115

Name: compound 21 [PMID: 7473541]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 21.26
Molecular weight 309.21
XLogP 7.53
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Brown GR, Butlin RJ, Chapman S, Eakin MA, Foubister AJ, Freeman S, Griffiths D, Harrison PJ, Johnson MC, Mallion KB. (1995)
Phenoxypropylamines: a new series of squalene synthase inhibitors.
J. Med. Chem., 38 (21): 4157-60. [PMID:7473541]