Table 8.
Ligand no. | Molecular Weight |
H-bond acceptors | H-bond donors | Fraction Csp3 (0.25) | TPSA(Å2) (20–130) | Log S (ESOL) mol/L | Molar Refractivity | Bioavailability Score |
---|---|---|---|---|---|---|---|---|
L-10 | 734.70 | 14 | 4 | 0.66 | 212.42 | −3.82 | 172.71 | 0.17 |
L-17 | 316.30 | 6 | 2 | 82.53 | 85.22 | −3.44 | 82.53 | 0.55 |
L-01 | 248.30 | 3 | 1 | 0.67 | 46.53 | −3.07 | 69.12 | 0.55 |
L-03 | 244.29 | 3 | 0 | 0.47 | 43.37 | −3.15 | 67.68 | 0.55 |
L-06 | 262.30 | 4 | 1 | 0.60 | 63.60 | −2.90 | 69.35 | 0.55 |
L-07 | 278.30 | 5 | 2 | 0.60 | 83.83 | −3.12 | 70.55 | 0.55 |
L-22 | 244.29 | 3 | 0 | 0.60 | 38.83 | −2.24 | 64.85 | 0.55 |
L-04 | 246.30 | 3 | 0 | 0.60 | 43.37 | −3.11 | 68.15 | 0.55 |
L-15 | 314.33 | 5 | 1 | 0.17 | 64.99 | −4.92 | 87.75 | 0.55 |
L-09 | 266.33 | 4 | 2 | 0.80 | 66.76 | −2.72 | 71.09 | 0.55 |
Note: Molecular Weight (acceptance range: <500), HBD = hydrogen bond donor (acceptance range: ≤5), HBA = hydrogen-bond acceptor: (acceptance range: ≤10).