Skip to main content
. 2025 Jul 11;15(30):24270–24288. doi: 10.1039/d5ra01835h

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