compound 5ab [PMID: 8246233]

Ligand id: 2994

Name: compound 5ab [PMID: 8246233]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 98.41
Molecular weight 455.18
XLogP 5.23
No. Lipinski's rules broken 1

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]