| # | 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 | |
| 3 | Musk | X% < 0.103 et 3.593 < Ui < 3.737 ou nHet = 10.0 et 35.0 < nO < 50.0 |
38.18 | 21 | 52 | 24 | |
| 4 | Oily | 38.0 < nAT et 0.231 < X% ou 140.25 < MW < 144.29 et 6.056 < Sv < 7.085 ou 1.269 < TPSA(Tot) < 1.287 |
32.11 | 123 | 232 | 274 | |
| 5 | Ethereal | 130.16 < MW < 130.21 ou 6.554 < Sv < 6.557 ou H% < 8.0 ou 2.449 < Ui < 2.466 et nArNHR < 3.0 |
31.6 | 79 | 144 | 185 | |
| 6 | Green | 4.772 < Sv < 6.71 et 2.0 < N% < 12.0 et 1.0 < nR03 < 3.0 et nCrt = 3.0 et 0.874 < Ui < 3.297 |
27.9 | 259 | 357 | 830 | |
| 7 | Woody | H% = 15.5 ou X% < 0.083 ou 115.0 < nR=Cp < 117.0 ou 2.934 < TPSA(Tot) < 2.985 et 3.0 < nArOH < 4.0 |
26.19 | 132 | 223 | 413 | |
| 8 | Herbaceous | 140.2 < MW < 249.39 et 5.0 < nArOH ou 3.113 < TPSA(Tot) < 3.133 et 1.0 < nHet < 10.0 et 13.0 < H% < 23.0 |
25.82 | 236 | 356 | 794 |
| Code | Description | Catégorie | Sous-catégorie | |
|---|---|---|---|---|
| nR=Cp | number of terminal primary C(sp2) | Functional group counts | Basic descriptors | |
| nCrt | number of ring tertiary C(sp3) | Functional group counts | Basic descriptors | |
| 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 | |
| MW | molecular weight | Constitutional indices | Basic descriptors | |
| nOHs | number of secondary alcohols | Functional group counts | Basic descriptors | |
| TPSA(Tot) | topological polar surface area using N,O,S,P polar contributions | Molecular properties | Basic descriptors | |
| nArOH | number of aromatic hydroxyls | Functional group counts | Basic descriptors | |
| nAT | number of atoms | Constitutional indices | Basic descriptors | |
| nArNHR | number of secondary amines (aromatic) | Functional group counts | 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 | |
| Ui | unsaturation index | Molecular properties | Basic descriptors | |
| Sv | sum of atomic van der Waals volumes (scaled on Carbon atom) | Constitutional indices | Basic descriptors |