Table 3. Different chemical reactivity descriptor values of hit compounds.
| Compound | Electronic energy | Dipole moment | Chemical potent | Ionization potential | Chemical hardness | Chemical softness | Electrophilicity index | Electronegativity | Electron affinity |
|---|---|---|---|---|---|---|---|---|---|
| W1 | −1705.56 | 2.25 | −0.53 | 0.23 | 0.47 | 1.07 | 0.94 | 0.53 | 0.06 |
| W6 | −1912.017 | 5.29 | −0.53 | 0.21 | 0.47 | 1.07 | 0.31 | 0.53 | 0.07 |
| W14 | −1946.73 | 6.40 | −0.55 | 0.23 | 0.45 | 1.10 | 0.33 | 0.55 | 0.09 |
| W23 | −2024.13 | 11.66 | −0.55 | 0.23 | 0.45 | 1.11 | 0.34 | 0.55 | 0.10 |
| W18 | −8592175.55 | 3.55 | −0.55 | 0.23 | 0.45 | 1.12 | 0.34 | 0.55 | 0.55 |
| W19 | −2061.04 | 5.90 | −0.56 | 0.23 | 0.45 | 1.12 | 0.34 | 0.55 | 0.11 |
| W27 | −2393.91 | 5.49 | −0.55 | 0.21 | 0.45 | 1.11 | 0.33 | 0.55 | 0.10 |
| W3 | −1858.37 | 4.318 | −0.53 | 0.21 | 0.47 | 1.06 | 0.30 | 0.53 | 0.06 |
| W24 | −2175.54 | 5.88 | −0.55 | 0.23 | 0.45 | 1.11 | 0.34 | 0.55 | 0.10 |