| Solvability | Top-1 | Top-2 | Top-3 | Top-4 | Top-5 | Top-10 | Top-20 | Top-50 | Top-100 | Top-500 | Top-1000 | Top-10000 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 73.6% | 11.6% | 14.2% | 15.6% | 17.4% | 18.4% | 21.0% | 21.8% | 22.4% | 23.4% | 23.6% | 23.6% | 23.6% |
n = 500 targets
| Length | Solvability | Top-1 | Top-2 | Top-3 | Top-4 | Top-5 | Top-10 | Top-20 | Top-50 | Top-100 | Top-500 | Top-1000 | Top-10000 | n |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 2 | 70.0% | 28.0% | 34.0% | 34.0% | 38.0% | 39.0% | 42.0% | 43.0% | 43.0% | 44.0% | 44.0% | 44.0% | 44.0% | 100 |
| 3 | 85.0% | 17.0% | 21.0% | 24.0% | 27.0% | 31.0% | 32.0% | 34.0% | 35.0% | 36.0% | 36.0% | 36.0% | 36.0% | 100 |
| 4 | 74.0% | 6.0% | 7.0% | 9.0% | 9.0% | 9.0% | 15.0% | 15.0% | 16.0% | 17.0% | 18.0% | 18.0% | 18.0% | 100 |
| 5 | 72.0% | 7.0% | 7.0% | 8.0% | 9.0% | 9.0% | 11.0% | 12.0% | 13.0% | 13.0% | 13.0% | 13.0% | 13.0% | 100 |
| 6 | 67.0% | 0.0% | 2.0% | 3.0% | 4.0% | 4.0% | 5.0% | 5.0% | 5.0% | 7.0% | 7.0% | 7.0% | 7.0% | 100 |
Confidence intervals available on hover. Reliability indicators show LOW_N (insufficient samples) or EXTREME_P (value near boundary).
SMILES
COc1c(N2CCN(C(=O)COC(C)=O)CC2)cc(Br)cc1C(C)(C)C
InChiKey
HMTKDIMDUAJTBJ-UHFFFAOYSA-N
Scroll to zoom. Drag to pan. Nodes marked in green are in stock.