Ligand id: 6791

Name: acarbose

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 19
Hydrogen bond donors 14
Rotatable bonds 9
Topological polar surface area 321.17
Molecular weight 645.25
XLogP -5.53
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Jones K, Sim L, Mohan S, Kumarasamy J, Liu H, Avery S, Naim HY, Quezada-Calvillo R, Nichols BL, Pinto BM et al.. (2011)
Mapping the intestinal alpha-glucogenic enzyme specificities of starch digesting maltase-glucoamylase and sucrase-isomaltase.
Bioorg. Med. Chem., 19 (13): 3929-34. [PMID:21669536]
2. Patil VS, Nandre KP, Ghosh S, Rao VJ, Chopade BA, Bhosale SV, Bhosale SV. (2012)
Synthesis and glycosidase inhibitory activity of novel (2-phenyl-4H-benzopyrimedo[2,1-b]-thiazol-4-yliden)acetonitrile derivatives.
Bioorg. Med. Chem. Lett., 22 (23): 7011-4. [PMID:23102653]