compound 3q [PMID: 2231594]

Ligand id: 2977

Name: compound 3q [PMID: 2231594]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 109.57
Molecular weight 445.15
XLogP 5.09
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Karanewsky DS, Badia MC, Ciosek CP, Robl JA, Sofia MJ, Simpkins LM, DeLange B, Harrity TW, Biller SA, Gordon EM. (1990)
Phosphorus-containing inhibitors of HMG-CoA reductase. 1. 4-[(2-arylethyl)hydroxyphosphinyl]-3-hydroxy-butanoic acids: a new class of cell-selective inhibitors of cholesterol biosynthesis.
J. Med. Chem., 33 (11): 2952-6. [PMID:2231594]