Calculate Indices

DesMol2 works with .mol .sdf and .smi files. You can select more than one file at the same time even if they've different extensions. Only those molecules that contain the next atoms will be processed: As, B, Br, C, Cl, F, Ge, I, N, O, P, Pb, S, Si or Sn.

The result is a .xls file with two tabs. The first one contains the indices calculated for each molecule. The second tab reports files that have not been processed and the number of unprocessed molecules of each file.

Indices calculated by DesMol2