compound 33 [PMID: 17574412]

Ligand id: 3010

Name: compound 33 [PMID: 17574412]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 14
Topological polar surface area 138.41
Molecular weight 596.26
XLogP 6.79
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Pfefferkorn JA, Song Y, Sun KL, Miller SR, Trivedi BK, Choi C, Sorenson RJ, Bratton LD, Unangst PC, Larsen SD et al.. (2007)
Design and synthesis of hepatoselective, pyrrole-based HMG-CoA reductase inhibitors.
Bioorg. Med. Chem. Lett., 17 (16): 4538-44. [PMID:17574412]