Table 3. GoldScores for the Docking Scores of (R)- and (S)-2 and Their Half-Sandwich Complexes 3a–6b As Well As the Respective Diastereomers 3a′, 3b′, 5a′, and 5b′, Dependent on the Chiral Configuration at the Metal Center and Ligand.
GoldScore | ||||
---|---|---|---|---|
compounds | (R) | (S) | ||
2 | 61.5 | 58.8 |
configuration | (SM,R) | (RM,S) | (RM,R) | (SM,S) |
---|---|---|---|---|
compound | a | b | a | b |
3 | 78.8 | 59.1 | ||
4 | 78.9 | 52.7 | ||
5 | 59.6 | 59.1 | ||
6 | 60.0 | 56.3 | ||
3′ | 54.4 | 51.6 | ||
5′ | 49.0 | 50.4 |