compound 1a [PMID: 15055993]

Ligand id: 6514

Name: compound 1a [PMID: 15055993]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 6
Topological polar surface area 165.01
Molecular weight 424.09
XLogP 1.94
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Moriyama H, Tsukida T, Inoue Y, Yokota K, Yoshino K, Kondo H, Miura N, Nishimura S. (2004)
Azasugar-based MMP/ADAM inhibitors as antipsoriatic agents.
J. Med. Chem., 47 (8): 1930-8. [PMID:15055993]