Table 2 Structure, molecular formula, binding energies of 10 best variants of pleconaril
S. No | Structure of molecule | Molecular formula | Binding energy in K.cal./mol. |
|---|---|---|---|
1. |
| C21H21Cl3O4S2 | -9.90775 |
2. |
| C21H21F3O7S2 | -9.90392 |
3. |
| C21H21Br3O7S2 | -9.90239 |
4. |
| C21H21BrClFO7S2 | -9.69162 |
5. |
| C23H25BrClFO7S2 | -9.67661 |
6. |
| C21H21Cl3O7S2 | -9.60862 |
7. |
| C21H21Br3O9 | -9.57821 |
8. |
| C23H28OS2 | -9.52213 |
9. |
| C23H19Br6Cl3OS2 | -9.47199 |
10. |
| C23H19BrCl7FOS2 | -9.46511 |
