compound 4 [Balasubramanian et al., 1992]

Ligand id: 2962

Name: compound 4 [Balasubramanian et al., 1992]

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 124.19
Molecular weight 453.14
XLogP 3.09
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Balasubramanian N, Brown PJ, Parker RA, Wright JJ. (1992)
HMG-CoA Reductase Inhibitors 4. Tetrazole series: Conformational contraints and structural requirements at the hydrophobic domain.
Bioorg. Med. Chem. Lett, 2 (1): 99-104.