Ligand id: 8704

Name: emapunil

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 69.64
Molecular weight 401.19
XLogP 5.34
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Yanamoto K, Kumata K, Yamasaki T, Odawara C, Kawamura K, Yui J, Hatori A, Suzuki K, Zhang MR. (2009)
[18F]FEAC and [18F]FEDAC: Two novel positron emission tomography ligands for peripheral-type benzodiazepine receptor in the brain.
Bioorg. Med. Chem. Lett., 19 (6): 1707-10. [PMID:19217778]