Table 2.
Compounds | Affinity Score kcal/mol | Lipophilic Contribution Score | Clash Score | Ligand Entropy Conformation Score |
---|---|---|---|---|
14e | −24.85 | −8.50 | 4.32 | 0.00 |
14c | −24.23 | −8.56 | 4.54 | 0.00 |
14a | −24.10 | −12.27 | 4.12 | 0.00 |
6a | −23.50 | −8.31 | 5.82 | 1.40 |
6c | −23.23 | −8.28 | 5.88 | 1.40 |
17 | −22.68 | −6.36 | 3.85 | 1.40 |
14d | −22.23 | −13.86 | 7.55 | 0.00 |
14f | −21.66 | −6.91 | 8.23 | 0.00 |
6b | −20.46 | −8.52 | 5.89 | 1.40 |
6d | −20.27 | −8.31 | 5.88 | 1.40 |
6e | −20.25 | −8.39 | 4.54 | 2.80 |
11 | −18.80 | −9.23 | 5.11 | 0.00 |