Table 8.
QSAR computation for optimized structures of perimidine compounds.
| Function | L1 | L2 | L3 | L4 | L5 |
|---|---|---|---|---|---|
| Surface area (approx.) (Å2) | 425.73 | 488.36 | 496.79 | 464.04 | 465.53 |
| Surface area (grid) (Å2) | 623.02 | 661.15 | 661.91 | 644.29 | 642.82 |
| Volume (Å3) | 1060.57 | 1138.87 | 1134.04 | 1105.99 | 1105.72 |
| Hydration energy (kcal/mol) | −8.29 | −9.97 | −17.83 | −8.00 | −8.02 |
| Log P | 2.53 | 1.53 | −1.64 | 2.31 | 2.31 |
| Reactivity (Å3) | 132.87 | 139.25 | 138.92 | 137.59 | 137.59 |
| Polarizability (Å3) | 45.32 | 47.80 | 47.62 | 47.25 | 47.25 |
| Mass (amu) | 390.44 | 420.47 | 436.45 | 424.89 | 424.89 |