Ligand id: 5170

Name: CL82198

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 54.71
Molecular weight 302.16
XLogP 2.23
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Chen JM, Nelson FC, Levin JI, Mobilio D, Moy FJ, Nilakantan R, Zask A, Powers R. (2000)
Structure-Based Design of a Novel, Potent, and Selective Inhibitor for MMP-13 Utilizing NMR Spectroscopy and Computer-Aided Molecular Design.
Journal of the American Chemical Society, 122 (40): 9648-9654.