Table 7.
Physiochemical properties of potential bioactive compounds from medicinal plants.
| Compound | MM | log P | Alog P | HBA | HBD | TSPA | AMR | nRB |
|---|---|---|---|---|---|---|---|---|
| Amritoside | 626.11 | −1.906 | −5.142 | 18 | 10 | 291.82 | 139.81 | 6 |
| Pectolinarin | 622.19 | −0.441 | −3.996 | 15 | 7 | 223.29 | 155.57 | 8 |
| Astragalin | 448.1 | −0.249 | −2.771 | 11 | 7 | 186.37 | 114.53 | 4 |
| Apigenin-6-C-glucosyl7-O-glucoside | 710.17 | −3.096 | −5.2 | 19 | 11 | 319.89 | 166.59 | 11 |
| 7-Ketositosterol | 428.37 | 9.499 | 1.029 | 2 | 1 | 37.3 | 125.1 | 6 |
| 20a-Hydroxy ecdysone | 480.31 | 1.049 | −1.198 | 7 | 6 | 138.45 | 126.18 | 5 |
| Chlorogenic acids | 354.1 | −0.7 | −1.194 | 9 | 6 | 164.75 | 85.8 | 5 |
| Ellagic acid | 608.17 | −0.762 | −4.06 | 15 | 8 | 234.29 | 150.53 | 7 |
| Tinosporine B | 374.14 | 1.379 | −1.134 | 7 | 2 | 102.29 | 93.42 | 1 |
| Quercetin | 302.04 | 1.834 | −1.244 | 7 | 5 | 127.45 | 83.44 | 1 |
| Epicatechin | 290.08 | 0.852 | −0.936 | 6 | 5 | 110.38 | 81.07 | 1 |
| Remdesivir | 602.23 | 0.336 | −3.217 | 14 | 4 | 211.13 | 151.49 | 14 |
MM: molecular mass, HBD: hydrogen bond donors, HBA hydrogen bond acceptors, PSA: polar surface area, AMR: Atom Molar Refractivity, nRB: number of Rotable Bond (MM less than 500 Da, no more than 5 HBD, no more than 10 HBA, and partition coefficient (log P) not greater than 5, TPSA no greater than140 Å2, AMR: 40 to 130, nRB: not more than 3 RB).