Comp ID | MW (g/mol) | TPSA (Å2) | WLOGP | MLOGP | Log S (ESOL) | HBD | HBA | SA | RO5 violation | Drug-likeness |
---|---|---|---|---|---|---|---|---|---|---|
N1 | 273.33 | 66.64 | 0.52 | 0.80 | − 2.41 | 1 | 2 | 2.52 | 0 | YES |
N2 | 313.18 | 40.62 | 1.97 | 1.88 | − 3.78 | 0 | 2 | 2.32 | 0 | YES |
N3 | 286.11 | 57.61 | 1.61 | 1.37 | − 3.4 | 1 | 3 | 2.11 | 0 | YES |
N4 | 299.15 | 63.40 | 1.23 | 1.36 | − 3.08 | 1 | 3 | 2.73 | 0 | YES |
N5 | 312.19 | 37.38 | 2.91 | 2.70 | − 4.38 | 0 | 2 | 2.32 | 0 | YES |
N6 | 344.15 | 109.22 | 1.14 | 0.39 | − 3.15 | 1 | 5 | 2.88 | 0 | YES |
N7 | 330.72 | 89.87 | 2.64 | 1.45 | − 3.59 | 3 | 4 | 2.75 | 0 | YES |
N8 | 298.16 | 37.38 | 3.17 | 2.73 | − 4.23 | 0 | 2 | 2.29 | 0 | YES |
N9 | 287.06 | 83.20 | 1.78 | 1.48 | − 3.01 | 0 | 4 | 2.25 | 0 | YES |
N10 | 332.05 | 129.02 | 1.68 | 0.59 | − 3.08 | 0 | 6 | 2.63 | 0 | YES |
N11 | 310.06 | 37.38 | 4.04 | 2.62 | − 3.8 | 0 | 5 | 2.19 | 0 | YES |
N12 | 355.05 | 83.20 | 3.95 | 2.41 | − 4.21 | 0 | 7 | 2.62 | 0 | YES |