compound 1a [PMID: 2153213]

Ligand id: 2987

Name: compound 1a [PMID: 2153213]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 85.52
Molecular weight 408.16
XLogP 4.62
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Jendralla H, Baader E, Bartmann W, Beck G, Bergmann A, Granzer E, von Kerekjarto B, Kesseler K, Krause R, Schubert W. (1990)
Synthesis and biological activity of new HMG-CoA reductase inhibitors. 2. Derivatives of 7-(1H-pyrrol-3-yl)-substituted-3,5-dihydroxyhept-6(E)-enoic (-heptanoic) acids.
J. Med. Chem.33 (1): 61-70. [PMID:2153213]