Ligand id: 2650

Name: BMS753

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 83.47
Molecular weight 351.15
XLogP 3.39
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. GĂ©hin M, Vivat V, Wurtz JM, Losson R, Chambon P, Moras D, Gronemeyer H. (1999)
Structural basis for engineering of retinoic acid receptor isotype-selective agonists and antagonists.
Chem. Biol., 6 (8): 519-29. [PMID:10421757]