SMILES
c1ccc(-c2cc3cc(-c4ccncn4)c(-c4ccco4)nc3[nH]2)cc1
InChiKey
GMOSJDXQORTJOO-UHFFFAOYSA-N
| Tier-0 valid | Solv-0[n5-stock] | Top-1 | Top-3 | Top-5 | Top-10 | Top-20 | Top-50 | Top-100 |
|---|---|---|---|---|---|---|---|---|
| 55.8% | 55.2% | 9.3% | 11.3% | 12.2% | 12.8% | 13.2% | 13.7% | 13.7% |
n = 600 targets
| Stratum | Tier-0 valid | Solv-0[n5-stock] | Top-1 | Top-3 | Top-5 | Top-10 | Top-20 | Top-50 | Top-100 | n |
|---|---|---|---|---|---|---|---|---|---|---|
| depth 2 | 73.0% | 73.0% | 37.0% | 43.0% | 44.0% | 45.0% | 46.0% | 49.0% | 49.0% | 100 |
| depth 3 | 60.0% | 60.0% | 12.0% | 15.0% | 17.0% | 19.0% | 20.0% | 20.0% | 20.0% | 100 |
| depth 4 | 63.0% | 62.0% | 5.0% | 6.0% | 8.0% | 9.0% | 9.0% | 9.0% | 9.0% | 100 |
| depth 5 | 58.0% | 57.0% | 2.0% | 3.0% | 3.0% | 3.0% | 3.0% | 3.0% | 3.0% | 100 |
| depth 6 | 44.0% | 43.0% | 0.0% | 1.0% | 1.0% | 1.0% | 1.0% | 1.0% | 1.0% | 100 |
| depth 7 | 37.0% | 36.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 0.0% | 100 |
Confidence intervals available on hover. Reliability indicators show LOW_N (insufficient samples) or EXTREME_P (value near boundary).