# | Qualités | Propriétés physico-chimiques | Score (en %) | Support | Support qualités | Support propriétés | |
---|---|---|---|---|---|---|---|
1 | vegetable < 1.0 et 7.0 < woody |
1.133 < Mi < 1.134 et nH = 28.0 |
100.0 | 3 | 3 | 3 | |
2 | dusty < 3.0 et 7.0 < woody |
1.133 < Mi < 1.134 et nH = 28.0 |
100.0 | 3 | 3 | 3 | |
3 | 2.0 < coniferous < 3.0 et 3.0 < powdery |
1.127 < Mi < 1.13 et 3.0 < nCIC |
100.0 | 3 | 3 | 3 | |
4 | 2.0 < coniferous < 3.0 et 3.0 < powdery |
37.5 < C% < 38.6 et 3.0 < nCIC |
100.0 | 3 | 3 | 3 | |
5 | medicinal < 0.0 et sweet < 5.0 |
12.0 < nSK < 21.0 ou 4.5 < O% < 7.1 ou nR06 < 0.0 et nArOH < 0.0 |
81.69 | 174 | 190 | 197 | |
6 | aldehyde < 0.0 et medicinal < 0.0 et 1.0 < erogenic |
22.036 < Sv < 25.563 ou 1.0 < nRCO et 32.6 < C% < 40.5 et 363.761 < SAtot < 438.243 |
70.37 | 19 | 23 | 23 |
Code | Description | Catégorie | Sous-catégorie | |
---|---|---|---|---|
nR06 | number of 6-membered rings | Ring descriptors | Basic descriptors | |
C% | percentage of C atoms | Constitutional indices | Basic descriptors | |
SAtot | total surface area from P_VSA-like descriptors | Molecular properties | Basic descriptors | |
nRCO | number of ketones (aliphatic) | Functional group counts | Basic descriptors | |
nCIC | number of rings (cyclomatic number) | Ring descriptors | Basic descriptors | |
nH | number of Hydrogen atoms | Constitutional indices | Basic descriptors | |
nArOH | number of aromatic hydroxyls | Functional group counts | Basic descriptors | |
Mi | mean first ionization potential (scaled on Carbon atom) | Constitutional indices | Basic descriptors | |
nSK | number of non-H atoms | Constitutional indices | Basic descriptors | |
O% | percentage of O atoms | Constitutional indices | Basic descriptors | |
Sv | sum of atomic van der Waals volumes (scaled on Carbon atom) | Constitutional indices | Basic descriptors |