compound 1 [PMID: 11425539]

Ligand id: 6542

Name: compound 1 [PMID: 11425539]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 40.62
Molecular weight 266.11
XLogP 5.12
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Aoyama Y, Uenaka M, Konoike T, Hayasaki-Kajiwara Y, Naya N, Nakajima M. (2001)
Inhibition of serine proteases: activity of 1,3-diazetidine-2,4-diones.
Bioorg. Med. Chem. Lett.11 (13): 1691-4. [PMID:11425539]