Ligand id: 2981

Name: BMY-21950

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 124.19
Molecular weight 478.14
XLogP 3.29
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]