Table 2. Summary of statistical analysis of active and inactive classes of influenza A and B neuraminidase inhibitors.
Descriptor | Influenza A | Influenza B | ||||
---|---|---|---|---|---|---|
Active | Inactive | p-value | Active | Inactive | p-value | |
MW | 343.234 ± 56.916 | 328.415 ± 83.823 | 0.085 | 312.466 ± 44.641 | 357.692 ± 76.866 | <0.05 |
RBN | 7.061 ± 2.183 | 5.248 ± 2.681 | <0.05 | 5.689 ± 2.043 | 7.233 ± 2.561 | <0.05 |
nCIC | 1.514 ± 0.655 | 2.109 ± 1.316 | <0.05 | 1.444 ± 0.546 | 1.709 ± 0.852 | <0.05 |
nHDon | 4.743 ± 1.257 | 4.321 ± 2.029 | <0.05 | 4.578 ± 1.34 | 4.849 ± 1.561 | 0.302 |
nHAcc | 7.777 ± 1.502 | 7.204 ± 2.153 | <0.05 | 7.156 ± 1.731 | 8.337 ± 1.334 | <0.05 |
ALogP | 0.049 ± 1.256 | 0.853 ± 2.475 | <0.05 | −0.128 ± 1.291 | −0.017 ± 1.602 | 0.67 |
TPSA | 125.205 ± 24.37 | 120.033 ± 37.06 | 0.169 | 114.592 ± 27.661 | 134.168 ± 25.007 | <0.05 |
Qm | 0.163 ± 0.02 | 0.179 ± 0.055 | <0.05 | 0.158 ± 0.013 | 0.168 ± 0.018 | <0.05 |
Energy | −0.274 ± 0.083 | −0.246 ± 0.119 | <0.05 | −0.276 ± 0.099 | −0.249 ± 0.089 | 0.129 |
Dipole moment | 4.101 ± 1.972 | 4.328 ± 2.003 | 0.336 | 3.831 ± 1.601 | 4.364 ± 2.011 | 0.101 |
HOMO | −0.352 ± 0.011 | −0.343 ± 0.015 | <0.05 | −0.351 ± 0.009 | −0.35 ± 0.013 | 0.573 |
LUMO | −0.006 ± 0.018 | −0.021 ± 0.022 | <0.05 | −0.013 ± 0.01 | −0.003 ± 0.023 | <0.05 |
HOMO-LUMO | 0.346 ± 0.023 | 0.322 ± 0.03 | <0.05 | 0.339 ± 0.014 | 0.347 ± 0.029 | <0.05 |