Compounds (57 results) Scaffold: C1CCC(C2CCC(CC3CCCC(CC4CCCC4)C... ×

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
173 BBP-10115 BBP-10115 0.542 0.462 Yellow 0.72 -6.7 43 -4.7 76 432 2 3.2 3.0
256 BBP-06188 BBP-06188 0.536 0.468 Yellow 0.78 -6.9 57 -4.7 73 428 2 4.4 3.0
351 BBP-09955 BBP-09955 0.530 0.476 Yellow 0.68 -7.3 53 -4.7 73 431 2 4.2 3.5
389 BBP-06023 BBP-06023 0.528 0.500 Yellow 0.72 -6.7 38 -4.7 73 431 2 4.2 3.1
404 BBP-06143 BBP-06143 0.527 0.468 Yellow 0.67 -7.2 52 -4.7 73 431 2 4.2 3.2
430 BBP-09982 BBP-09982 0.526 0.451 Yellow 0.70 -6.8 70 -4.7 76 446 2 3.4 3.6
557 BBP-06066 BBP-06066 0.520 0.410 Yellow 0.72 -6.6 54 -4.7 73 431 2 4.2 3.1
680 BBP-06446 BBP-06446 0.514 0.384 Yellow 0.60 -6.9 39 -4.7 73 411 2 4.0 3.2
683 BBP-06935 BBP-06935 0.514 0.349 Yellow 0.72 -6.8 38 -4.7 73 431 2 4.2 3.3
703 BBP-06030 BBP-06030 0.513 0.429 Yellow 0.60 -6.9 44 -4.7 73 429 2 4.2 3.2
723 BBP-22609 BBP-22609 0.512 0.373 Green 0.80 - 44 -4.7 64 428 1 4.1 3.2
758 BBP-06804 BBP-06804 0.510 0.400 Yellow 0.57 -7.3 61 -4.7 73 429 2 4.2 3.3
769 BBP-09977 BBP-09977 0.510 0.487 Yellow 0.55 -7.0 69 -4.7 79 418 2 4.3 3.1
791 BBP-26092 BBP-26092 0.509 0.475 Yellow 0.71 -6.9 46 -4.8 76 457 2 4.2 3.2
794 BBP-26916 BBP-26916 0.509 0.513 Yellow 0.65 -7.2 49 -4.7 73 449 2 4.4 3.2
840 BBP-26005 BBP-26005 0.507 0.430 Green 0.76 - 50 -4.7 76 428 2 3.4 3.0
875 BBP-26176 BBP-26176 0.505 0.395 Green 0.80 - 43 -4.7 63 428 2 4.0 2.9
991 BBP-22645 BBP-22645 0.498 0.356 Green 0.77 - 50 -4.7 64 428 1 4.1 3.7
1014 BBP-26261 BBP-26261 0.497 0.384 Green 0.78 - 56 -4.7 73 410 2 4.3 2.9
1039 BBP-10068 BBP-10068 0.496 0.458 Yellow 0.66 -6.7 56 -4.7 73 445 2 4.5 3.9
1073 BBP-06113 BBP-06113 0.494 0.463 Yellow 0.77 -7.1 56 -4.8 86 428 2 3.8 3.1
1077 BBP-26298 BBP-26298 0.494 0.422 Green 0.79 - 37 -4.7 73 410 2 4.3 3.1
1130 BBP-28531 BBP-28531 0.491 0.420 Green 0.71 - 64 -4.7 73 413 2 4.1 3.0
1178 BBP-26901 BBP-26901 0.489 0.377 Green 0.79 - 49 -4.7 73 428 2 4.4 3.3
1200 BBP-28471 BBP-28471 0.487 0.444 Green 0.73 - 59 -4.7 73 431 2 4.2 3.1
1315 BBP-12387 BBP-12387 0.480 0.444 Yellow 0.63 -6.9 74 -4.7 86 414 2 3.5 3.0
1337 BBP-25208 BBP-25208 0.480 0.405 Green 0.68 - 58 -4.8 76 440 2 3.7 3.2
1354 BBP-06100 BBP-06100 0.479 0.463 Yellow 0.73 -6.8 79 -4.8 86 432 2 3.6 3.1
1423 BBP-03672 BBP-03672 0.475 0.379 Yellow 0.76 -6.9 59 -4.8 82 444 2 3.9 3.3
1473 BBP-26124 BBP-26124 0.473 0.410 Green 0.70 - 44 -4.8 76 457 2 4.2 3.1
1499 BBP-06765 BBP-06765 0.471 0.395 Yellow 0.60 -7.4 66 -4.7 86 430 2 3.6 3.3
1553 BBP-07108 BBP-07108 0.469 0.452 Yellow 0.66 -6.8 67 -4.7 82 433 2 3.4 3.7
1583 BBP-26654 BBP-26654 0.468 0.383 Green 0.58 - 41 -4.7 72 399 3 3.3 3.0
1615 BBP-07286 BBP-07286 0.466 0.447 Yellow 0.68 -6.7 57 -4.7 82 429 2 3.6 3.7
1725 BBP-06056 BBP-06056 0.461 0.456 Yellow 0.56 -6.5 61 -4.7 82 419 2 3.3 3.0
1797 BBP-02370 BBP-02370 0.458 0.415 Yellow 0.64 -7.3 66 -4.7 82 435 3 4.0 3.4
1851 BBP-26505 BBP-26505 0.456 0.378 Green 0.55 - 43 -4.7 72 413 3 3.6 3.0
1897 BBP-07419 BBP-07419 0.454 0.463 Yellow 0.54 -7.4 71 -4.7 82 417 3 3.9 3.6
1978 BBP-06040 BBP-06040 0.450 0.480 Yellow 0.54 -7.0 69 -4.7 82 417 3 3.9 3.1
2135 BBP-15999 BBP-15999 0.442 0.456 Yellow 0.58 -6.9 67 -4.7 79 414 2 4.5 3.1
2212 BBP-10102 BBP-10102 0.437 0.435 Yellow 0.58 -6.6 66 -4.8 82 447 2 3.8 4.0
2228 BBP-06947 BBP-06947 0.436 0.427 Yellow 0.57 -6.6 52 -4.7 89 458 2 3.5 3.1
2261 BBP-01326 BBP-01326 0.434 0.434 Yellow 0.44 -6.8 78 -4.7 88 420 2 3.5 3.7
2277 BBP-26322 BBP-26322 0.433 0.451 Yellow 0.74 - 55 -4.8 86 428 2 3.8 3.3
2331 BBP-08305 BBP-08305 0.430 0.439 Yellow 0.52 -7.0 42 -4.7 82 417 3 4.3 3.6
2386 BBP-25261 BBP-25261 0.427 0.422 Yellow 0.65 - 48 -4.8 82 429 2 3.7 3.0
2638 BBP-26310 BBP-26310 0.415 0.412 Yellow 0.56 - 57 -4.7 85 414 3 3.0 3.0
2777 BBP-25410 BBP-25410 0.408 0.432 Yellow 0.56 - 58 -4.8 82 436 2 3.8 3.0
2875 BBP-07549 BBP-07549 0.401 0.419 Yellow 0.39 -6.4 92 -4.8 88 437 2 4.0 3.7
2882 BBP-28373 BBP-28373 0.400 0.390 Yellow 0.50 - 66 -4.7 85 418 3 2.8 3.1