compound 18t [PMID: 8246237]

Ligand id: 2996

Name: compound 18t [PMID: 8246237]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 98.41
Molecular weight 539.23
XLogP 9.67
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Connolly PJ, Westin CD, Loughney DA, Minor LK. (1993)
HMG-CoA reductase inhibitors: design, synthesis, and biological activity of tetrahydroindazole-substituted 3,5-dihydroxy-6-heptenoic acid sodium salts.
J. Med. Chem., 36 (23): 3674-85. [PMID:8246237]