Table 2.
The in silico physiological parameters and drug-likeness properties of Pyridine carboxamide and carbothioamide.
| S. No. | Comp. No. | Molecular Weight | LogP | LogS | tPSA | HBD | HBA | Rotatable Bonds | GI Absorption |
Oral Bioavailability (VEBER) |
|---|---|---|---|---|---|---|---|---|---|---|
| 1. | Rx-1 | 180.23 | 1.24 | −2.01 | 95.39 | 2 | 2 | 3 | High | Yes |
| 2. | Rx-2 | 194.26 | 1.50 | −1.73 | 95.39 | 2 | 2 | 3 | High | Yes |
| 3. | Rx-3 | 259.13 | 1.63 | −2.53 | 95.39 | 2 | 2 | 3 | High | Yes |
| 4. | Rx-4 | 210.26 | 1.74 | −1.68 | 104.62 | 2 | 3 | 4 | High | Yes |
| 5. | Rx-5 | 248.23 | 1.46 | −2.26 | 95.39 | 2 | 5 | 4 | High | Yes |
| 6. | Rx-6 | 214.68 | 1.49 | −2.59 | 95.39 | 2 | 2 | 3 | High | Yes |
| 7. | Rx-7 | 164.16 | −0.09 | −0.94 | 80.37 | 2 | 3 | 3 | High | Yes |
| 8. | Rx-8 | 178.19 | 0.29 | −1.25 | 80.37 | 2 | 3 | 3 | High | Yes |
| 9. | Rx-9 | 243.06 | 0.33 | −2.05 | 80.37 | 2 | 3 | 3 | High | Yes |
| 10. | Rx-10 | 194.19 | 0.57 | −1.20 | 89.60 | 2 | 4 | 4 | High | Yes |
| 11. | Rx-11 | 232.16 | 0.25 | −1.78 | 80.37 | 2 | 6 | 4 | High | Yes |
| 12. | Rx-12 | 198.61 | 0.17 | −2.11 | 80.37 | 2 | 3 | 3 | High | Yes |