Sr. no | Mol. wt | TPSA | No. of rotatable bonds | DonorHB | AccptHB | QPlogPo/w | QPlogBB | QPPMDCK | QPPCaco |
---|---|---|---|---|---|---|---|---|---|
1. | 334.71 | 115.38 | 4 | 3 | 5 | 1.773 | − 2.173 | 36.004 | 38.398 |
2. | 334.71 | 115.38 | 4 | 3 | 5 | 2.391 | 1.258 | 263.91 | 226.62 |
3. | 334.17 | 69.55 | 3 | 3 | 4 | 3.31 | 1.363 | 32.746 | 78.746 |
4. | 273.26 | 69.55 | 3 | 3 | 4 | 2.061 | 1.307 | 176.66 | 226.74 |
5. | 305.33 | 69.55 | 3 | 3 | 4 | 2.786 | 1.476 | 120.18 | 270.07 |
6. | 314.29 | 93.07 | 6 | 2 | 6 | 1.498 | 2.105 | 35.928 | 88.37 |
7. | 326.35 | 76.00 | 7 | 2 | 4 | 3.421 | 1.451 | 222.06 | 476.59 |
8. | 312.37 | 66.76 | 5 | 2 | 4 | 3.578 | 1.216 | 258.22 | 547.98 |
9. | 272.26 | 86.99 | 4 | 3 | 4 | 1.546 | 1.759 | 57.484 | 136.50 |
10. | 207.23 | 69.55 | 3 | 3 | 4 | 1.086 | 1.233 | 147.94 | 327.31 |
11. | 306.32 | 66.76 | 4 | 2 | 4 | 3.217 | 1.222 | 208.85 | 450.32 |
12. | 318.41 | 66.76 | 5 | 2 | 3 | 3.783 | 1.237 | 225.48 | 483.39 |