Table 2 Calculated molecular profile for compound 13
Compound 6 | Descriptor | |||||
|---|---|---|---|---|---|---|
Mw | LogP | H-bond Acceptor | H-Bond Donor | BBB | Human intestinal absorption (%) | |
13a | 409.449 | 4.622 | 7 | 0 | 1.138 | 98.537 |
13b | 454.446 | 4.531 | 9 | 0 | 0.249 | 100 |
13c | 427.439 | 4.761 | 7 | 0 | 1.417 | 98.553 |
13d | 439.475 | 4.631 | 8 | 0 | 0.906 | 99.556 |
13e | 427.439 | 4.761 | 7 | 0 | 1.362 | 97.989 |
13f | 445.429 | 4.901 | 7 | 0 | 1.65666 | 98.051 |
13 g | 457.465 | 4.770 | 8 | 0 | 1.087 | 99.055 |
13 h | 443.894 | 5.276 | 7 | 0 | 1.607 | 97.087 |
13i | 488.891 | 5.184 | 9 | 0 | 0.417 | 1.00 |
13j | 461.884 | 5.415 | 7 | 0 | 1.917 | 97.086 |
13k | 473.92 | 5.284 | 8 | 0 | 1.417 | 98.089 |
13 L | 488.345 | 5.385 | 7 | 0 | 1.635 | 97.02 |
13 m | 533.342 | 5.293 | 9 | 0 | 0.445 | 100 |
13n | 506.335 | 5.524 | 7 | 0 | 1.944 | 97.019 |
13o | 518.371 | 5.393 | 8 | 0 | 1.758 | 98.022 |
13p | 472.436 | 4.670 | 9 | 0 | 0.294 | 100 |
13q | 423.476 | 4.931 | 7 | 0 | 1.337 | 98.546 |
13r | 441.466 | 5.070 | 7 | 0 | 1.621 | 98.236 |
13s | 468.473 | 4.839 | 9 | 0 | 0.352 | 100 |
13t | 453.502 | 4.939 | 8 | 0 | 1.182 | 99.643 |