Molecule | MWt | HBA | HBD | Log p | TPSA (Å2) | Violation | BA | SA |
---|---|---|---|---|---|---|---|---|
Lipinski’s rule → | ˂500 | ≤ 10 | ≤ 5 | ≤ 5 | < 40 | |||
N1 | 593.72 | 6 | 2 | 4.24 | 115.21 | 1 | 0.55 | 4.79 |
N2 | 609.71 | 7 | 2 | 4.67 | 124.44 | 1 | 0.55 | 4.79 |
N3 | 637.72 | 8 | 3 | 3.67 | 152.51 | 2 | 0.11 | 4.93 |
N4 | 594.70 | 6 | 3 | 3.67 | 141.23 | 2 | 0.55 | 4.71 |
N5 | 686.20 | 6 | 2 | 5.18 | 115.21 | 2 | 0.55 | 5.04 |
N6 | 664.79 | 8 | 2 | 5.08 | 144.64 | 3 | 0.17 | 5.22 |
N7 | 663.81 | 8 | 3 | 5.44 | 151.42 | 3 | 0.17 | 5.26 |
N8 | 622.71 | 8 | 2 | 4.10 | 144.64 | 2 | 0.17 | 4.87 |
N9 | 638.78 | 7 | 2 | 0.00 | 159.66 | 2 | 0.55 | 4.89 |
N10 | 621.73 | 8 | 2 | 5.09 | 139.93 | 2 | 0.17 | 4.92 |
N11 | 637.73 | 9 | 2 | 5.15 | 149.16 | 3 | 0.17 | 5.01 |
N12 | 619.75 | 6 | 2 | 5.00 | 115.21 | 2 | 0.55 | 4.97 |
N13 | 683.82 | 8 | 2 | 4.17 | 157.73 | 2 | 0.17 | 5.17 |
N14 | 567.63 | 7 | 3 | 3.36 | 135.44 | 1 | 0.56 | 4.39 |
N15 | 640.69 | 10 | 5 | 3.43 | 184.77 | 2 | 0.11 | 4.45 |
N16 | 585.61 | 9 | 4 | 3.06 | 172.74 | 2 | 0.11 | 4.36 |
N17 | 542.59 | 7 | 4 | 2.70 | 161.46 | 2 | 0.11 | 4.14 |
N18 | 541.60 | 7 | 3 | 3.04 | 135.44 | 1 | 0.56 | 4.19 |
N19 | 570.60 | 9 | 3 | 3.69 | 164.87 | 2 | 0.11 | 4.29 |
N20 | 586.66 | 8 | 3 | 0.00 | 179.89 | 2 | 0.11 | 4.29 |
N21 | 569.61 | 9 | 3 | 3.20 | 160.16 | 2 | 0.11 | 4.48 |
N22 | 585.61 | 10 | 3 | 3.95 | 169.39 | 2 | 0.11 | 4.56 |
N23 | 631.70 | 9 | 3 | 3.22 | 177.96 | 2 | 0.11 | 4.74 |
N24 | 570.60 | 8 | 4 | 2.23 | 178.53 | 2 | 0.11 | 4.26 |
N25 | 571.58 | 9 | 4 | 2.27 | 172.74 | 2 | 0.11 | 4.19 |
T | 595.69 | 7 | 3 | 3.78 | 135.44 | 1 | 0.56 | 4.65 |
R | 493.57 | 5 | 2 | 2.89 | 118.64 | 0 | 0.55 | 3.46 |