| # | Qualités | Propriétés physico-chimiques | Score (en %) | Support | Support qualités | Support propriétés | |
|---|---|---|---|---|---|---|---|
| 1 | Fruity | 1.0 < nHet < 8.0 et 3.0 < N% < 13.0 et 1.0 < nCsp2 < 4.0 et 2.0 < nR03 < 8.0 |
49.02 | 429 | 570 | 734 | |
| 2 | Floral | 19.0 < nAT < 61.0 et 0.048 < X% < 0.216 et 22.0 < nCs et 14.0 < nR=Cp < 69.0 |
38.14 | 341 | 476 | 759 |
| Code | Description | Catégorie | Sous-catégorie | |
|---|---|---|---|---|
| nAT | number of atoms | Constitutional indices | Basic descriptors | |
| nR03 | number of 3-membered rings | Ring descriptors | Basic descriptors | |
| nR=Cp | number of terminal primary C(sp2) | Functional group counts | Basic descriptors | |
| X% | percentage of halogen atoms | Constitutional indices | Basic descriptors | |
| nHet | number of heteroatoms | Constitutional indices | Basic descriptors | |
| nCs | number of total secondary C(sp3) | Functional group counts | Basic descriptors | |
| nCsp2 | number of sp2 hybridized Carbon atoms | Constitutional indices | Basic descriptors | |
| N% | percentage of N atoms | Constitutional indices | Basic descriptors |