compound 30 [PMID: 15953724]

Ligand id: 8812

Name: compound 30 [PMID: 15953724]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 42.23
Molecular weight 539.2
XLogP 11.11
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Riendeau D, Aspiotis R, Ethier D, Gareau Y, Grimm EL, Guay J, Guiral S, Juteau H, Mancini JA, M├ęthot N et al.. (2005)
Inhibitors of the inducible microsomal prostaglandin E2 synthase (mPGES-1) derived from MK-886.
Bioorg. Med. Chem. Lett., 15 (14): 3352-5. [PMID:15953724]