compound 13e [PMID: 16759857]

Ligand id: 8786

Name: compound 13e [PMID: 16759857]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 152.62
Molecular weight 483.16
XLogP 7.4
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Amarasinghe KK, Evdokimov AG, Evidokimov AG, Xu K, Clark CM, Maier MB, Srivastava A, Colson AO, Gerwe GS, Stake GE et al.. (2006)
Design and synthesis of potent, non-peptidic inhibitors of HPTPbeta.
Bioorg. Med. Chem. Lett., 16 (16): 4252-6. [PMID:16759857]