| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 98.0% | 10.4% | 14.2% | 18.0% | 20.8% | 22.2% | 28.6% | 33.8% | 35.0% | 35.0% | 35.0% | 35.0% | 35.0% |
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 | 99.0% | 26.0% | 35.0% | 44.0% | 50.0% | 55.0% | 68.0% | 78.0% | 80.0% | 80.0% | 80.0% | 80.0% | 80.0% | 100 |
| 3 | 99.0% | 10.0% | 13.0% | 16.0% | 20.0% | 20.0% | 32.0% | 41.0% | 42.0% | 42.0% | 42.0% | 42.0% | 42.0% | 100 |
| 4 | 100.0% | 5.0% | 9.0% | 11.0% | 13.0% | 15.0% | 19.0% | 21.0% | 24.0% | 24.0% | 24.0% | 24.0% | 24.0% | 100 |
| 5 | 98.0% | 8.0% | 10.0% | 13.0% | 14.0% | 14.0% | 16.0% | 20.0% | 20.0% | 20.0% | 20.0% | 20.0% | 20.0% | 100 |
| 6 | 94.0% | 3.0% | 4.0% | 6.0% | 7.0% | 7.0% | 8.0% | 9.0% | 9.0% | 9.0% | 9.0% | 9.0% | 9.0% | 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.