Table 1.
The analysis of the physico-chemical properties of the selected compounds using computational analysis.
| S. No | Molecular Weight | LogP | Rotatable Bonds | Acceptors | Donors | Surface Area |
|---|---|---|---|---|---|---|
| Anomalin | 426.465 | 4.3925 | 4 | 7 | 0 | 179.832 |
| Alantolactone | 232.323 | 3.2406 | 0 | 2 | 0 | 102.727 |
| Baicalein | 270.24 | 2.5768 | 1 | 5 | 3 | 112.519 |
| Berberin | 336.367 | 3.0963 | 2 | 4 | 0 | 144.867 |
| Bergenin | 328.273 | −1.2006 | 2 | 9 | 5 | 129.813 |
| Catechin | 290.271 | 1.5461 | 1 | 6 | 5 | 119.662 |
| Continentalic acid | 302.458 | 5.2062 | 2 | 1 | 1 | 134.232 |
| Coumarin | 146.145 | 1.793 | 0 | 2 | 0 | 63.079 |
| Epi-catechin | 290.271 | 1.5461 | 1 | 6 | 5 | 119.662 |
| Ferulic acid | 194.186 | 1.4986 | 3 | 3 | 2 | 81.065 |
| Gallic acid | 170.12 | 0.5016 | 1 | 4 | 4 | 67.135 |
| Honokiol | 266.34 | 4.2218 | 5 | 2 | 2 | 118.887 |
| Icariin | 676.668 | 0.0679 | 9 | 15 | 8 | 273.926 |
| Linoleic acid | 28.452 | 5.8845 | 14 | 1 | 1 | 124.520 |
| Magnolol | 266.34 | 4.2218 | 5 | 2 | 2 | 118.887 |
| Matrine | 248.37 | 1.8717 | 0 | 2 | 0 | 109.506 |
| P-coumaric acid | 164.16 | 1.49 | 2 | 2 | 2 | 69.587 |
| Pimelic acid | 160.169 | 1.1061 | 6 | 2 | 2 | 64.840 |
| Poncirin | 594.566 | −0.8622 | 7 | 14 | 7 | 239.713 |
| Quercetin | 302.238 | 1.988 | 1 | 7 | 5 | 122.108 |
| Rutin | 610.521 | −1.6871 | 6 | 16 | 10 | 240.901 |
| Vanillic acid | 168.148 | 1.099 | 2 | 3 | 2 | 69.025 |