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| OCHEM |
Enamine |
|||
|---|---|---|---|---|
| data set | estimated | calculated | estimated | calculated |
| OCHEM | 43.9 ± 0.5 | 51.9 ± 0.4 (49.9 ± 0.4) | ||
| Enamine | 42.3 ± 0.4 | 40 ± 0.3 (39.8 ± 0.3)a | ||
| Bradley | 41 ± 1 | 33.9 ± 0.5 (32.5 ± 0.3) | 40 ± 1 | 73 ± 1 (73 ± 1) |
| Bergström | 42 ± 4 | 34 ± 1 (34 ± 1) | 44 ± 4 | 36 ± 2 (33 ± 1) |
Values in parentheses are calculated for compounds with experimental MP values in the [50; 250]°C drug-like interval.
