compound 42 [PMID: 17574411]

Ligand id: 3001

Name: compound 42 [PMID: 17574411]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 105.83
Molecular weight 573.22
XLogP 6.29
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Pfefferkorn JA, Choi C, Song Y, Trivedi BK, Larsen SD, Askew V, Dillon L, Hanselman JC, Lin Z, Lu G et al.. (2007)
Design and synthesis of novel, conformationally restricted HMG-CoA reductase inhibitors.
Bioorg. Med. Chem. Lett., 17 (16): 4531-7. [PMID:17574411]