3,5-dimethyl PPP

Ligand id: 3397

Name: 3,5-dimethyl PPP

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 68.39
Molecular weight 309.19
XLogP 4.08
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Micheli F, Fabio RD, Cavanni P, Rimland JM, Capelli AM, Chiamulera C, Corsi M, Corti C, Donati D, Feriani A, Ferraguti F, Maffeis M, Missio A, Ratti E, Paio A, Pachera R, Quartaroli M, Reggiani A, Sabbatini FM, Trist DG, Ugolini A, Vitulli G. (2003)
Synthesis and pharmacological characterisation of 2,4-dicarboxy-pyrroles as selective non-competitive mGluR1 antagonists.
Bioorg Med Chem, 11: 171-183. [PMID:12470711]