Ligand id: 8422

Name: 5-BODMT

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 36.1
Molecular weight 272.19
XLogP 2.46
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Klein MT, Dukat M, Glennon RA, Teitler M. (2011)
Toward selective drug development for the human 5-hydroxytryptamine 1E receptor: a comparison of 5-hydroxytryptamine 1E and 1F receptor structure-affinity relationships.
J. Pharmacol. Exp. Ther., 337 (3): 860-7. [PMID:21422162]