compound 2t [PMID: 2296036]

Ligand id: 2972

Name: compound 2t [PMID: 2296036]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 72.31
Molecular weight 398.2
XLogP 5.01
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]