Compound code | miLogP | TPSA | nAtoms | MW | nHBA | nHBD | nNiolations | nRB |
---|---|---|---|---|---|---|---|---|
MS1 | 4.33 | 43.85 | 24 | 311.39 | 3 | 2 | 0 | 3 |
MS2 | 4.89 | 51.97 | 26 | 360.44 | 4 | 0 | 0 | 4 |
MS3 | 2.99 | 83.55 | 25 | 330.35 | 6 | 2 | 0 | 3 |
MS4 | 4.85 | 43.85 | 25 | 329.38 | 3 | 2 | 0 | 3 |
MS5 | 3.03 | 55.21 | 24 | 317.35 | 5 | 0 | 0 | 3 |
MS6 | 4.92 | 17.83 | 24 | 310.4 | 2 | 0 | 0 | 3 |
MS7 | 4.65 | 17.83 | 24 | 330.82 | 2 | 0 | 0 | 3 |
MS8 | 4.39 | 17.83 | 24 | 375.27 | 2 | 0 | 0 | 3 |
MS9 | 5.7 | 21.06 | 25 | 331.46 | 3 | 0 | 1 | 5 |
MS10 | 3.86 | 30.30 | 25 | 333.44 | 4 | 0 | 0 | 5 |
MS11 | 4.44 | 43.85 | 25 | 325.42 | 3 | 2 | 0 | 4 |
MS12 | 5.93 | 43.85 | 25 | 325.42 | 3 | 2 | 1 | 4 |
MS13 | 6.12 | 17.83 | 24 | 330.82 | 2 | 0 | 1 | 3 |
MS14 | 5.34 | 51.97 | 27 | 374.46 | 4 | 0 | 1 | 4 |
MS15 | 6.06 | 30.72 | 23 | 297.36 | 3 | 0 | 1 | 3 |
MS16 | 4.22 | 56.74 | 24 | 312.38 | 4 | 2 | 0 | 3 |
MS17 | 6.25 | 17.83 | 25 | 344.85 | 2 | 0 | 1 | 4 |
MS18 | 6.23 | 17.83 | 25 | 344.85 | 2 | 0 | 1 | 4 |
MS19 | 3.83 | 30.30 | 23 | 305.38 | 4 | 0 | 0 | 4 |
MS20 | 5.36 | 21.06 | 26 | 339.44 | 3 | 0 | 1 | 4 |
MS21 | 5.31 | 27.06 | 25 | 326.40 | 3 | 0 | 1 | 4 |
MS22 | 6.04 | 17.83 | 26 | 358.87 | 2 | 0 | 1 | 5 |
MS23 | 5.95 | 17.83 | 26 | 342.42 | 2 | 0 | 1 | 5 |
MS24 | 6.44 | 17.83 | 26 | 358.87 | 2 | 0 | 1 | 5 |
MS25 | 7.07 | 17.83 | 27 | 393.32 | 2 | 0 | 1 | 5 |
MS26 | 6.04 | 17.83 | 27 | 360.41 | 2 | 0 | 1 | 5 |
MS27 | 4.78 | 30.72 | 23 | 297.36 | 3 | 0 | 0 | 3 |
MS28 | 6.63 | 17.83 | 27 | 346.43 | 2 | 0 | 1 | 3 |
MS29 | 5.25 | 17.83 | 23 | 296.37 | 2 | 0 | 1 | 3 |
MS30 | 4.72 | 33.62 | 22 | 285.35 | 3 | 1 | 0 | 3 |
MS31 | 5.46 | 17.83 | 22 | 302.40 | 2 | 0 | 1 | 3 |
MS32 | 5.87 | 17.83 | 24 | 310.40 | 2 | 0 | 1 | 3 |
MS33 | 4.78 | 38.05 | 24 | 312.37 | 3 | 1 | 0 | 3 |
MS34 | 5.20 | 38.05 | 24 | 312.37 | 3 | 1 | 1 | 3 |
MS35 | 5.31 | 27.06 | 25 | 326.40 | 3 | 0 | 1 | 4 |
MS36 | 4.89 | 21.06 | 23 | 303.41 | 3 | 0 | 0 | 3 |
MS37 | 5.13 | 21.06 | 24 | 317.44 | 3 | 0 | 1 | 3 |
MS38 | 3.88 | 24.30 | 24 | 318.42 | 4 | 0 | 0 | 3 |
MS39 | 6.25 | 17.83 | 25 | 344.85 | 2 | 0 | 1 | 4 |
MS40 | 5.21 | 63.65 | 26 | 341.37 | 5 | 0 | 1 | 4 |