BMS compound 87b

Ligand id: 3492

Name: BMS compound 87b

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 12
Topological polar surface area 81.67
Molecular weight 451.28
XLogP 6.39
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Wacker DA, Santella 3rd JB, Gardner DS, Varnes JG, Estrella M, DeLucca GV, Ko SS, Tanabe K, Watson PS, Welch PK et al.. (2002)
CCR3 antagonists: a potential new therapy for the treatment of asthma. Discovery and structure-activity relationships.
Bioorg. Med. Chem. Lett., 12 (13): 1785-9. [PMID:12067561]