E913

Ligand id: 3500

Name: E913

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 71.11
Molecular weight 483.31
XLogP 4.92
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Maeda K, Yoshimura K, Shibayama S, Habashita H, Tada H, Sagawa K, Miyakawa T, Aoki M, Fukushima D, Mitsuya H. (2001)
Novel low molecular weight spirodiketopiperazine derivatives potently inhibit R5 HIV-1 infection through their antagonistic effects on CCR5.
J. Biol. Chem.276 (37): 35194-200. [PMID:11454872]