compound 13b [PMID: 19101153]

Ligand id: 8808

Name: compound 13b [PMID: 19101153]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 82.79
Molecular weight 370.07
XLogP 2.72
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Zhang X, Qiu Y, Li X, Bhattacharjee S, Woods M, Kraft P, Lundeen SG, Sui Z. (2009)
Discovery and structure-activity relationships of a novel series of benzopyran-based K(ATP) openers for urge urinary incontinence.
Bioorg. Med. Chem., 17 (2): 855-66. [PMID:19101153]