Ligand id: 3217

Name: E6801

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 119.12
Molecular weight 423.06
XLogP 1.9
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Holenz J, Mercè R, Díaz JL, Guitart X, Codony X, Dordal A, Romero G, Torrens A, Mas J, Andaluz B et al.. (2005)
Medicinal chemistry driven approaches toward novel and selective serotonin 5-HT6 receptor ligands.
J. Med. Chem., 48 (6): 1781-95. [PMID:15771424]