ALogP | 1.31 ± 3.24 | 1.89 ± 2.47* | 1.49 ± 3.07 | 2.09 ± 2.56 |
Apol | 12,644.0 ± 6478.29 | 12,178.1 ± 6061.78 | 14,401.3 ± 6419.16 | 12,711.8 ± 7124.28* |
LogD | 0.65 ± 3.43 | 1.23 ± 2.45 | 0.80 ± 3.07 | 1.46 ± 2.69 |
Molecular weight | 355.67 ± 186.93 | 184.83 ± 184.83 | 398.56 ± 183.56 | 361.54 ± 201.89 |
No. of rotatable bonds | 5.17 ± 4.35 | 4.47 ± 4.04 | 5.74 ± 3.17 | 4.81 ± 4.04* |
No. of rings | 2.63 ± 1.51 | 2.51 ± 1.53 | 2.80 ± 1.75 | 2.45 ± 1.72 |
No. of aromatic rings | 1.27 ± 1.04 | 1.36 ± 1.00 | 1.58 ± 1.14 | 1.39 ± 1.11 |
No. of H bond acceptors | 5.20 ± 4.06 | 4.97 ± 3.61 | 6.49 ± 4.07 | 5.08 ± 3.81** |
No. of H bond donors | 2.51 ± 2.82 | 2.09 ± 2.38 | 2.57 ± 2.52 | 1.88 ± 1.96* |
Molecular surface area | 352.68 ± 180.92 | 332.88 ± 183.78 | 386.34 ± 177.07 | 342.62 ± 197.55* |
Molecular polar surface area | 102.17 ± 92.83 | 96.48 ± 74.51 | 125.60 ± 78.23 | 97.80 ± 74.76** |
Wiener index | 2383.90 ± 6919.65 | 1919.01 ± 5230.99 | 2667.27 ± 3562.05 | 2280.12 ± 4890.95 |
Zagreb index | 122.38 ± 69.64 | 115.48 ± 64.32 | 136.52 ± 70.87 | 115.82 ± 76.90* |