Ligand id: 5622

Name: MRS5151

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 9
Topological polar surface area 162.49
Molecular weight 538.17
XLogP 2.71
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Melman A, Gao ZG, Kumar D, Wan TC, Gizewski E, Auchampach JA, Jacobson KA. (2008)
Design of (N)-methanocarba adenosine 5'-uronamides as species-independent A3 receptor-selective agonists.
Bioorg. Med. Chem. Lett., 18 (9): 2813-9. [PMID:18424135]