BRD3444

Ligand id: 9648

Name: BRD3444

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 65.04
Molecular weight 495.25
XLogP 8.35
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Kato N, Comer E, Sakata-Kato T, Sharma A, Sharma M, Maetani M, Bastien J, Brancucci NM, Bittker JA, Corey V et al.. (2016)
Diversity-oriented synthesis yields novel multistage antimalarial inhibitors.
Nature538 (7625): 344-349. [PMID:27602946]