chroman 28

Ligand id: 664

Name: chroman 28

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 96.12
Molecular weight 583.25
XLogP 8.05
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. D'Amico DC, Aya T, Human J, Fotsch C, Chen JJ, Biswas K, Riahi B, Norman MH, Willoughby CA, Hungate R, Reider PJ, Biddlecome G, Lester-Zeiner D, Staden CV, Johnson E, Kamassah A, Arik L, Wang J, Viswanadhan VN, Groneberg RD, Zhan J, Suzuki H, Toro A, Mareska DA, Clarke DE, Harvey DM, Burgess LE, Laird ER, Askew B, Ng G. (2007)
Identification of a nonpeptidic and conformationally restricted bradykinin B1 receptor antagonist with anti-inflammatory activity.
J Med Chem50: 607-610. [PMID:17243660]