| # | 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 et 9.0 < nOHs < 26.0 |
49.53 | 423 | 570 | 707 | |
| 2 | Floral | 16.0 < nO < 48.0 et 13.0 < H% et 0.048 < X% < 0.216 ou 4.787 < Sv < 5.059 ou 54.0 < nAT < 56.0 |
39.58 | 378 | 476 | 857 |
| Code | Description | Catégorie | Sous-catégorie | |
|---|---|---|---|---|
| nR03 | number of 3-membered rings | Ring descriptors | Basic descriptors | |
| N% | percentage of N atoms | Constitutional indices | Basic descriptors | |
| nO | number of Oxygen atoms | Constitutional indices | Basic descriptors | |
| H% | percentage of H atoms | Constitutional indices | Basic descriptors | |
| nOHs | number of secondary alcohols | Functional group counts | Basic descriptors | |
| nAT | number of atoms | Constitutional indices | Basic descriptors | |
| nHet | number of heteroatoms | Constitutional indices | Basic descriptors | |
| X% | percentage of halogen atoms | Constitutional indices | Basic descriptors | |
| nCsp2 | number of sp2 hybridized Carbon atoms | Constitutional indices | Basic descriptors | |
| Sv | sum of atomic van der Waals volumes (scaled on Carbon atom) | Constitutional indices | Basic descriptors |