compound 40 [PMID: 10602705]

Ligand id: 8630

Name: compound 40 [PMID: 10602705]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 5
Rotatable bonds 13
Topological polar surface area 251.58
Molecular weight 483.13
XLogP -3.83
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. David C, Bischoff L, Meudal H, Mothé A, De Mota N, DaNascimento S, Llorens-Cortes C, Fournié-Zaluski MC, Roques BP. (1999)
Investigation of subsite preferences in aminopeptidase A (EC led to the design of the first highly potent and selective inhibitors of this enzyme.
J. Med. Chem., 42 (25): 5197-211. [PMID:10602705]