compound I3 [PMID: 23428964]

Ligand id: 8565

Name: compound I3 [PMID: 23428964]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 43.09
Molecular weight 329.04
XLogP 5.79
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Schmitt C, Voegelin M, Marin A, Schmitt M, Schegg F, Hénon P, Guenot D, Tarnus C. (2013)
Selective aminopeptidase-N (CD13) inhibitors with relevance to cancer chemotherapy.
Bioorg. Med. Chem., 21 (7): 2135-44. [PMID:23428964]