compound 18 [PMID: 1875346]

Ligand id: 3028

Name: compound 18 [PMID: 1875346]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 111.16
Molecular weight 571.35
XLogP 7.59
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Duggan ME, Alberts AW, Bostedor R, Chao YS, Germershausen JI, Gilfillan JL, Halczenko W, Hartman GD, Hunt V, Imagire JS. (1991)
3-Hydroxy-3-methylglutaryl-coenzyme a reductase inhibitors. 7. Modification of the hexahydronaphthalene moiety of simvastatin: 5-oxygenated and 5-oxa derivatives.
J. Med. Chem., 34 (8): 2489-95. [PMID:1875346]