compound 28 [PMID: 8246233]

Ligand id: 2985

Name: compound 28 [PMID: 8246233]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 111.3
Molecular weight 438.18
XLogP 3.88
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Chan C, Bailey EJ, Hartley CD, Hayman DF, Hutson JL, Inglis GG, Jones PS, Keeling SE, Kirk BE, Lamont RB. (1993)
Inhibitors of cholesterol biosynthesis. 1. 3,5-Dihydroxy-7-(N-imidazolyl)-6-heptenoates and -heptanoates, a novel series of HMG-CoA reductase inhibitors.
J. Med. Chem., 36 (23): 3646-57. [PMID:8246233]