Table 2 The physicochemical properties of the secondary metabolites (SMs) of Avena sativa (AS) identified by NPASS
No | Compounds | PubChem ID | Lipinski's Rules | Lipinski's Violations | Bioavailability Score | TPSA(Ã…2) | |||
|---|---|---|---|---|---|---|---|---|---|
MW | HBA | HBD | MLog P | ||||||
 < 500 |  < 10 |  ≤ 5 |  ≤ 4.15 |  ≤ 1 |  > 0.1 |  < 140 | |||
1 | Castanin | 5281704 | 298.29 | 5 | 1 | 1.01 | 0 | 0.55 | 68.90 |
2 | 4',7,8-Trihydroxyisoflavone | 5466139 | 270.24 | 5 | 3 | 0.52 | 0 | 0.55 | 90.90 |
3 | (-)-Epicatechin | 72276 | 290.27 | 6 | 5 | 0.24 | 0 | 0.55 | 110.38 |
4 | (-)-Catechin | 73160 | 290.27 | 6 | 5 | 0.24 | 0 | 0.55 | 110.38 |
5 | Protocatechuic Acid | 72 | 154.12 | 4 | 3 | 0.40 | 0 | 0.55 | 77.76 |
6 | Spermidine | 1102 | 145.25 | 3 | 3 | 0.08 | 0 | 0.55 | 64.07 |
7 | Formononetin | 5280378 | 268.26 | 4 | 1 | 1.33 | 0 | 0.55 | 59.67 |
8 | (3S)-Vestitol | 177149 | 272.30 | 4 | 2 | 1.87 | 0 | 0.55 | 58.92 |
9 | Raspberryketone | 21648 | 164.20 | 2 | 1 | 1.74 | 0 | 0.55 | 37.30 |
10 | Medicarpin | 336327 | 270.28 | 4 | 1 | 1.87 | 0 | 0.55 | 47.92 |
11 | Vestitol | 92503 | 272.30 | 4 | 2 | 1.87 | 0 | 0.55 | 58.92 |
12 | Mdl-26752 | 492218 | 244.42 | 4 | 4 | 1.03 | 0 | 0.55 | 76.10 |