Ligand id: 3104

Name: E5700

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 69.06
Molecular weight 433.24
XLogP 3.87
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Sealey-Cardona M, Cammerer S, Jones S, Ruiz-Pérez LM, Brun R, Gilbert IH, Urbina JA, González-Pacanowska D. (2007)
Kinetic characterization of squalene synthase from Trypanosoma cruzi: selective inhibition by quinuclidine derivatives.
Antimicrob. Agents Chemother., 51 (6): 2123-9. [PMID:17371809]