Extended Rule of Five and Prediction of Biological Activity of peptidic HIV-1-PR Inhibitors
Table 2. Predicted activities of the compounds as obtained byEqs.1-5.
| No. | o(log1/C) | p(log1/C) | ||||
| Eq.1 | Eq.2 | Eq.3 | Eq.4 | Eq.5 | ||
| 1 | 5.82 | 5.96 | 6.27 | 6.26 | 6.22 | 6.21 |
| 2 | 6.03 | 7.03 | 7.08 | 7.08 | 7.15 | 7.15 |
| 3 | 6.90 | 7.57 | 7.54 | 7.53 | 7.53 | 7.52 |
| 4 | 6.29 | 6.67 | 6.81 | 6.80 | 6.84 | 6.84 |
| 5 | 6.48 | 6.32 | 6.54 | 6.54 | 6.54 | 6.54 |
| 6 | 6.59 | 6.67 | 6.81 | 6.81 | 6.85 | 6.85 |
| 7 | 7.46 | 7.03 | 7.11 | 7.11 | 7.21 | 7.21 |
| 8 | 8.22 | 7.57 | 7.57 | 7.56 | 7.58 | 7.58 |
| 9 | 7.89 | 7.39 | 7.38 | 7.38 | 7.51 | 7.52 |
| 10 | 8.52 | 7.92 | 7.84 | 7.84 | 7.90 | 7.91 |
| 11 | 7.54 | 8.05 | 7.92 | 7.92 | 7.91 | 7.91 |
| 12 | 8.30 | 8.58 | 8.38 | 8.38 | 8.29 | 8.28 |
| 13 | 7.72 | 7.90 | 7.80 | 7.80 | 7.79 | 7.79 |
| 14 | 8.52 | 8.43 | 8.26 | 8.26 | 8.17 | 8.16 |
| 15a | 5.19 | 7.91 | 7.91 | 7.91 | 7.91 | 7.91 |
| 16a | 5.29 | 7.91 | 7.91 | 7.91 | 7.91 | 7.91 |
| 17 | 6.98 | 7.39 | 7.44 | 7.45 | 7.43 | 7.44 |
| 18 | 7.72 | 7.93 | 7.90 | 7.91 | 7.81 | 7.81 |
| 19 | 9.60 | 8.15 | 8.07 | 8.05 | 8.04 | 8.01 |
| 20 | 8.11 | 8.51 | 8.32 | 8.30 | 8.32 | 8.29 |
| 21 | 9.72 | 8.92 | 8.71 | 8.67 | 8.83 | 8.80 |
| 22 | 9.59 | 9.35 | 8.98 | 8.97 | 8.93 | 8.91 |
| 23 | 9.64 | 8.81 | 8.59 | 8.57 | 8.61 | 8.58 |
| 24 | 9.22 | 10.44 | 9.97 | 9.95 | 9.98 | 9.96 |
| 25 | 9.57 | 8.24 | 8.07 | 8.07 | 7.96 | 7.95 |
| 26a | 9.51 | 7.86 | 7.86 | 7.86 | 7.86 | 7.86 |
| 27a | 9.57 | 7.99 | 7.99 | 7.99 | 7.99 | 7.99 |
| 28 | 5.53 | 5.86 | 6.29 | 6.27 | 6.22 | 6.18 |
| 29a | 9.8 | 7.88 | 7.88 | 7.88 | 7.88 | 7.88 |
| 30 | 7.56 | 6.88 | 7.14 | 7.14 | 7.12 | 7.12 |
| 31a | 9.14 | 10.43 | 10.43 | 10.43 | 10.43 | 10.43 |
| 32 | 8.27 | 8.34 | 8.33 | 8.34 | 8.35 | 8.36 |
| 33 | 9.28 | 8.18 | 8.27 | 8.27 | 8.32 | 8.32 |
| 34 | 9.60 | 8.97 | 8.85 | 8.85 | 8.91 | 8.92 |
| 35 | 9.77 | 9.58 | 9.22 | 9.23 | 9.34 | 9.35 |
| 36 | 6.94 | 7.61 | 7.66 | 7.63 | 7.65 | 7.62 |
| 37 | 8.02 | 6.88 | 7.11 | 7.10 | 7.11 | 7.09 |
| 38 | 7.47 | 8.27 | 8.19 | 8.16 | 8.13 | 8.09 |
| 39a | 6.16 | 8.06 | 8.06 | 8.06 | 8.06 | 8.06 |
| 40 | 6.79 | 6.81 | 6.93 | 6.91 | 7.01 | 7.00 |
| 41a | 7.18 | 8.38 | 8.38 | 8.38 | 8.38 | 8.38 |
| 42a | 6.67 | 8.29 | 8.29 | 8.29 | 8.29 | 8.29 |
| 43 | 6.91 | 7.29 | 7.39 | 7.55 | 7.37 | 7.57 |
| 44 | 9.16 | 8.51 | 8.34 | 8.52 | 8.31 | 8.51 |
| 45a | 9.75 | 7.88 | 7.88 | 7.88 | 7.88 | 7.88 |
| 46 | 7.39 | 8.03 | 7.96 | 7.95 | 7.89 | 7.87 |
| 47a | 4.52 | 7.78 | 7.78 | 7.78 | 7.78 | 7.78 |
| 48 | 6.89 | 8.27 | 8.20 | 8.18 | 8.15 | 8.12 |
| 49 | 6.84 | 8.12 | 8.05 | 8.03 | 8.08 | 8.05 |
| 50a | 10.00 | 7.88 | 7.88 | 7.88 | 7.88 | 7.88 |
| 51 | 7.41 | 7.85 | 7.82 | 7.79 | 7.88 | 7.85 |
a Data points not included in deriving regression equation