compound 26 [PMID: 26267383]

Ligand id: 9305

Name: compound 26 [PMID: 26267383]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 13
Topological polar surface area 125.22
Molecular weight 586.22
XLogP 6.85
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Nagahara T, Saitoh T, Kutsumura N, Irukayama-Tomobe Y, Ogawa Y, Kuroda D, Gouda H, Kumagai H, Fujii H, Yanagisawa M et al.. (2015)
Design and Synthesis of Non-Peptide, Selective Orexin Receptor 2 Agonists.
J. Med. Chem., 58 (20): 7931-7. [PMID:26267383]