CBOBNEA

Ligand id: 7778

Name: CBOBNEA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 13
Topological polar surface area 84.86
Molecular weight 497.22
XLogP 8.68
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

References
1. Mésangeau C, Pérès B, Descamps-François C, Chavatte P, Audinot V, Coumailleau S, Boutin JA, Delagrange P, Bennejean C, Renard P et al.. (2010)
Design, synthesis and pharmacological evaluation of novel naphthalenic derivatives as selective MT(1) melatoninergic ligands.
Bioorg. Med. Chem.18 (10): 3426-36. [PMID:20444610]