Ligand id: 8431

Name: DR-4004

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 32.34
Molecular weight 386.24
XLogP 6.89
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Glennon RA. (2003)
Higher-end serotonin receptors: 5-HT(5), 5-HT(6), and 5-HT(7).
J. Med. Chem., 46 (14): 2795-812. [PMID:12825922]
2. Kikuchi C, Nagaso H, Hiranuma T, Koyama M. (1999)
Tetrahydrobenzindoles: selective antagonists of the 5-HT7 receptor.
J. Med. Chem., 42 (4): 533-5. [PMID:10052959]