compound 20 [PMID: 23692593]

Ligand id: 8486

Name: compound 20 [PMID: 23692593]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 16
Hydrogen bond donors 10
Rotatable bonds 32
Topological polar surface area 275.3
Molecular weight 783.33
XLogP 1.82
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

1. Kostova MB, Rosen DM, Chen Y, Mease RC, Denmeade SR. (2013)
Structural optimization, biological evaluation, and application of peptidomimetic prostate specific antigen inhibitors.
J. Med. Chem., 56 (11): 4224-35. [PMID:23692593]