compound 8d [PMID: 15027864]

Ligand id: 8659

Name: compound 8d [PMID: 15027864]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 6
Rotatable bonds 11
Topological polar surface area 173.26
Molecular weight 354.11
XLogP -0.11
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Kozikowski AP, Zhang J, Nan F, Petukhov PA, Grajkowska E, Wroblewski JT, Yamamoto T, Bzdega T, Wroblewska B, Neale JH. (2004)
Synthesis of urea-based inhibitors as active site probes of glutamate carboxypeptidase II: efficacy as analgesic agents.
J. Med. Chem., 47 (7): 1729-38. [PMID:15027864]