compound 17 [PMID: 24257095]

Ligand id: 9449

Name: compound 17 [PMID: 24257095]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 6
Rotatable bonds 14
Topological polar surface area 201.72
Molecular weight 497.24
XLogP 0.18
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

1. Reid RC, Yau MK, Singh R, Hamidon JK, Reed AN, Chu P, Suen JY, Stoermer MJ, Blakeney JS, Lim J et al.. (2013)
Downsizing a human inflammatory protein to a small molecule with equal potency and functionality.
Nat Commun, 4: 2802. [PMID:24257095]