Ligand id: 7780


Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 38.33
Molecular weight 339.22
XLogP 5.07
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Koike T, Hoashi Y, Takai T, Nakayama M, Yukuhiro N, Ishikawa T, Hirai K, Uchikawa O. (2011)
1,6-Dihydro-2H-indeno[5,4-b]furan derivatives: design, synthesis, and pharmacological characterization of a novel class of highly potent MTâ‚‚-selective agonists.
J. Med. Chem., 54 (9): 3436-44. [PMID:21473625]