compound 8b [PMID: 1992138]

Ligand id: 2966

Name: compound 8b [PMID: 1992138]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 59.42
Molecular weight 439.14
XLogP 6.09
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Sliskovic DR, Picard JA, Roark WH, Roth BD, Ferguson E, Krause BR, Newton RS, Sekerke C, Shaw MK. (1991)
Inhibitors of cholesterol biosynthesis. 4. trans-6-[2-(substituted-quinolinyl)ethenyl/ethyl]tetrahydro-4-hydroxy-2 H-pyran-2-ones, a novel series of HMG-CoA reductase inhibitors.
J. Med. Chem., 34 (1): 367-73. [PMID:1992138]