Table 4.
Compound number | Total energy | Z score | VDW |
---|---|---|---|
1 |
−75.0934 |
−72.2 |
−79.4166 |
2 |
−78.2062 |
−75.1 |
−69.6532 |
3 |
−70.5653 |
−95.6 |
−68.46 |
4 |
−78.7892 |
−72.3 |
−63.191 |
5 |
−65.564 |
−78.9 |
−59.3404 |
6 |
−86.6543 |
−105.7 |
−80.5888 |
7 |
−71.8927 |
−63.17 |
−59.0905 |
8 |
−95.9923 |
−120.5 |
−94.7849 |
9 |
−79.948 |
−71.9 |
−56.0692 |
10 |
−73.5766 |
−80 |
−86.6021 |
11 |
−72.3245 |
−73.6 |
−73.1902 |
12 |
−75.4277 |
−72.2 |
−70.7142 |
13 |
−85.3265 |
−94.6 |
−54.4274 |
14 |
−75.329 |
−75.3 |
−71.2839 |
15 |
−80.914 |
−75.1 |
−73.6739 |
16 |
−75.3033 |
−91.5 |
−63.0176 |
17 |
−68.7853 |
−74.3 |
−69.6841 |
18 |
−104.9856 |
−125.5 |
−105.697 |
19 |
−92.6464 |
−115.2 |
−87.8944 |
20 |
−74.3443 |
76.7 |
−70.902 |
21 |
−62.3597 |
−73.3 |
−50.6291 |
22 |
−60.2348 |
−78.2 |
−65.3015 |
23 |
−77.191 |
−75.6 |
−63.8723 |
24 |
−82.723 |
−77.2 |
−68.4238 |
25 |
−80.73 |
−75 |
−56.4072 |
26 | −75.093 | −104.3 | −48.6469 |