compound 1 [Patel et al., 1991]

Ligand id: 3009

Name: compound 1 [Patel et al., 1991]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 14
Topological polar surface area 104.06
Molecular weight 428.31
XLogP 5.3
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

References
1. Patel DV, Gordon EM. (1991)
C-2 desmethyl seco-mevinic acids. Monocyclic HMG-CoA reductase inhibitors.
Bioorganic & Medicinal Chemistry Letters1 (10): 509-512.