Compounds (156 results) Scaffold: C1CCC(CC2CC(CC3CCCC3)CC(C3CCCC... ×

All Green Yellow Leads
Scaffolds SAR Heatmap Matched Pairs
CSV SDF
Rank ID Structure Score 1664 Sim Traffic BBB Vina 3D PSA MDCK TPSA MW HBD SlogP SA
72 BBP-22005 BBP-22005 0.555 0.360 Yellow 0.75 -7.4 36 -4.7 76 414 2 3.0 2.8
106 BBP-21350 BBP-21350 0.550 0.295 Yellow 0.72 -7.3 39 -4.7 73 399 2 2.9 2.7
146 BBP-19950 BBP-19950 0.544 0.277 Green 0.75 -7.7 50 -4.7 70 377 2 4.0 3.1
204 BBP-22571 BBP-22571 0.539 0.487 Green 0.72 -7.5 60 -4.7 73 431 2 4.2 3.1
234 BBP-21870 BBP-21870 0.537 0.379 Yellow 0.76 -7.3 40 -4.7 73 410 2 4.3 3.1
283 BBP-21822 BBP-21822 0.534 0.395 Yellow 0.72 -7.3 48 -4.7 73 413 2 4.1 3.1
315 BBP-19240 BBP-19240 0.532 0.308 Yellow 0.72 -7.4 39 -4.7 70 398 2 3.9 3.3
330 BBP-22008 BBP-22008 0.531 0.311 Yellow 0.79 -7.1 83 -4.7 73 406 2 4.4 3.0
348 BBP-19227 BBP-19227 0.530 0.312 Yellow 0.73 -7.2 33 -4.7 70 398 2 3.9 3.2
364 BBP-22128 BBP-22128 0.530 0.349 Green 0.66 -7.6 42 -4.7 73 399 2 4.3 2.8
414 BBP-21817 BBP-21817 0.527 0.395 Yellow 0.77 -7.2 52 -4.7 73 428 2 4.4 3.3
421 BBP-20888 BBP-20888 0.526 0.463 Yellow 0.71 -7.5 38 -4.7 73 428 2 4.4 3.5
439 BBP-19185 BBP-19185 0.526 0.319 Yellow 0.73 -7.0 36 -4.7 70 398 2 3.9 3.3
440 BBP-21823 BBP-21823 0.526 0.412 Yellow 0.72 -7.0 51 -4.7 73 413 2 4.1 3.2
465 BBP-21965 BBP-21965 0.524 0.337 Yellow 0.68 -7.2 53 -4.7 70 416 2 4.1 2.9
485 BBP-20913 BBP-20913 0.523 0.382 Yellow 0.72 -7.2 46 -4.7 73 413 2 4.1 3.4
505 BBP-19412 BBP-19412 0.523 0.360 Green 0.71 -7.6 42 -4.7 73 406 2 4.4 3.4
542 BBP-21039 BBP-21039 0.521 0.363 Yellow 0.75 -7.2 59 -4.7 73 410 2 4.3 3.6
563 BBP-22054 BBP-22054 0.520 0.384 Yellow 0.68 -7.4 58 -4.7 73 413 2 4.1 3.4
614 BBP-21842 BBP-21842 0.517 0.393 Yellow 0.69 -7.2 48 -4.7 73 413 2 4.1 3.6
629 BBP-19517 BBP-19517 0.516 0.310 Yellow 0.68 -7.2 46 -4.7 79 384 3 3.6 2.9
679 BBP-20248 BBP-20248 0.514 0.319 Yellow 0.72 -7.0 36 -4.7 70 415 2 4.4 2.8
697 BBP-22574 BBP-22574 0.513 0.463 Yellow 0.67 -7.2 46 -4.7 73 431 2 4.2 3.5
749 BBP-22655 BBP-22655 0.511 0.407 Green 0.75 - 40 -4.7 76 414 2 3.0 2.9
858 BBP-21574 BBP-21574 0.506 0.305 Yellow 0.67 -7.0 62 -4.7 72 399 3 3.6 2.7
888 BBP-19740 BBP-19740 0.504 0.300 Yellow 0.66 -7.2 49 -4.7 79 384 3 3.6 3.3
907 BBP-22598 BBP-22598 0.503 0.430 Green 0.74 - 59 -4.7 76 432 2 3.2 3.0
911 BBP-22698 BBP-22698 0.503 0.390 Green 0.78 - 40 -4.7 63 431 2 3.8 3.0
917 BBP-22599 BBP-22599 0.503 0.430 Green 0.75 - 34 -4.7 76 428 2 3.4 3.0
938 BBP-22508 BBP-22508 0.501 0.322 Green 0.79 - 68 -4.7 73 378 2 3.8 2.9
941 BBP-21585 BBP-21585 0.501 0.306 Yellow 0.66 -6.8 50 -4.7 72 399 3 3.6 2.6
958 BBP-23160 BBP-23160 0.500 0.349 Green 0.77 - 30 -4.7 76 407 2 3.4 2.8
970 BBP-20891 BBP-20891 0.499 0.474 Yellow 0.56 -7.1 61 -4.7 79 418 2 4.3 3.1
976 BBP-22867 BBP-22867 0.499 0.368 Green 0.71 - 48 -4.7 76 414 2 3.0 3.0
1032 BBP-21664 BBP-21664 0.496 0.295 Yellow 0.64 -7.2 61 -4.7 72 416 3 4.1 2.6
1034 BBP-21892 BBP-21892 0.496 0.400 Yellow 0.62 -6.8 32 -4.7 73 431 2 4.2 3.1
1037 BBP-21809 BBP-21809 0.496 0.474 Yellow 0.54 -7.2 55 -4.7 79 414 2 4.5 3.1
1043 BBP-21887 BBP-21887 0.495 0.400 Yellow 0.58 -7.2 76 -4.7 79 414 2 4.5 3.4
1058 BBP-20950 BBP-20950 0.495 0.429 Yellow 0.59 -7.5 38 -4.7 73 449 2 4.4 3.7
1216 BBP-22890 BBP-22890 0.487 0.349 Green 0.75 - 31 -4.8 76 443 2 3.7 3.0
1293 BBP-16288 BBP-16288 0.482 0.281 Yellow 0.75 -7.3 52 -4.7 85 382 3 2.9 2.5
1327 BBP-22701 BBP-22701 0.480 0.384 Green 0.69 - 57 -4.7 73 413 2 4.1 3.2
1329 BBP-22908 BBP-22908 0.480 0.349 Green 0.69 - 35 -4.7 76 446 2 3.6 3.0
1363 BBP-18508 BBP-18508 0.478 0.258 Yellow 0.78 -7.0 45 -4.7 85 378 3 3.1 2.5
1411 BBP-22600 BBP-22600 0.476 0.422 Green 0.69 - 44 -4.8 76 443 2 3.7 3.5
1414 BBP-21855 BBP-21855 0.475 0.425 Yellow 0.59 -7.4 58 -4.7 82 419 2 3.3 3.0
1448 BBP-21894 BBP-21894 0.474 0.470 Yellow 0.74 -7.1 52 -4.8 86 428 2 3.8 3.2
1467 BBP-17320 BBP-17320 0.473 0.284 Yellow 0.72 -7.4 65 -4.7 85 396 3 3.2 2.6
1505 BBP-18560 BBP-18560 0.471 0.258 Green 0.68 -7.7 55 -4.7 85 393 3 3.4 2.6
1520 BBP-17405 BBP-17405 0.470 0.267 Yellow 0.73 -7.0 51 -4.9 85 364 3 2.7 2.4