Table 1. HOMA and NICS(1) Values of 1–11 Optimized at the M06-2X/6-311++G(d,p) Level of Theory.
| compound | HOMA value | NICS(1) |
|---|---|---|
| 1 | 0.927 | –9.72 |
| 2 | 0.929 | –9.62 |
| 3 | 0.994 | –10.46 |
| 4 | 0.998 | –10.76 |
| 5 | 0.953 | –10.26 |
| 6 | 0.957 | –10.05 |
| 7 | 0.990 | –10.31 |
| 8 | 0.993 | –10.32 |
| 9 | 0.981 | –9.97 |
| 10 | 0.960 | –10.34 |
| 11 | 0.991 | –10.71 |