Ligand id: 2649

Name: AGN193836

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 86.63
Molecular weight 481.07
XLogP 6.67
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Beard RL, Duong TT, Teng M, Klein ES, Standevan AM, Chandraratna RA. (2002)
Synthesis and biological activity of retinoic acid receptor-alpha specific amides.
Bioorg. Med. Chem. Lett., 12 (21): 3145-8. [PMID:12372520]