compound 4i [PMID: 2296036]

Ligand id: 2968

Name: compound 4i [PMID: 2296036]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 59.42
Molecular weight 433.21
XLogP 5.55
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Beck G, Kesseler K, Baader E, Bartmann W, Bergmann A, Granzer E, Jendralla H, von Kerekjarto B, Krause R, Paulus E. (1990)
Synthesis and biological activity of new HMG-CoA reductase inhibitors. 1. Lactones of pyridine- and pyrimidine-substituted 3,5-dihydroxy-6-heptenoic (-heptanoic) acids.
J. Med. Chem., 33 (1): 52-60. [PMID:2296036]