compound 2e [PMID: 19013076]

Ligand id: 8830

Name: compound 2e [PMID: 19013076]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 101.7
Molecular weight 199.13
XLogP -2.38
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Kotthaus J, Schade D, Muschick N, Beitz E, Clement B. (2008)
Structure-activity relationship of novel and known inhibitors of human dimethylarginine dimethylaminohydrolase-1: alkenyl-amidines as new leads.
Bioorg. Med. Chem., 16 (24): 10205-9. [PMID:19013076]