compound 13 [PMID: 1992149]

Ligand id: 2983

Name: compound 13 [PMID: 1992149]

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 93.48
Molecular weight 456.14
XLogP 4.79
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Roth BD, Bocan TM, Blankley CJ, Chucholowski AW, Creger PL, Creswell MW, Ferguson E, Newton RS, O'Brien P, Picard JA. (1991)
Relationship between tissue selectivity and lipophilicity for inhibitors of HMG-CoA reductase.
J. Med. Chem., 34 (1): 463-6. [PMID:1992149]