Compounds (39 results) Scaffold: C1CCC(C2CCC(CC3CCC(C4CC4)C(CC4... ×

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
433 BBP-26830 BBP-26830 0.526 0.500 Yellow 0.75 -7.0 35 -4.8 76 455 2 3.9 3.1
543 BBP-28912 BBP-28912 0.521 0.463 Yellow 0.79 -6.7 64 -4.8 76 455 2 3.9 3.1
610 BBP-29023 BBP-29023 0.518 0.579 Yellow 0.78 -7.0 40 -4.8 76 469 2 4.2 3.1
670 BBP-28855 BBP-28855 0.515 0.470 Yellow 0.72 -7.2 37 -4.8 76 469 2 4.3 3.1
675 BBP-29203 BBP-29203 0.515 0.464 Yellow 0.75 -7.1 37 -4.8 76 473 2 4.1 3.2
972 BBP-29157 LEAD BBP-29157 0.499 0.437 Green 0.80 - 38 -4.8 76 437 2 3.8 2.9
1048 BBP-28684 BBP-28684 0.495 0.476 Yellow 0.68 -7.0 33 -4.8 76 469 2 4.3 3.7
1054 BBP-23652 LEAD BBP-23652 0.495 0.442 Green 0.80 - 32 -4.8 76 455 2 3.9 3.1
1254 BBP-28084 LEAD BBP-28084 0.484 0.437 Green 0.76 - 41 -4.8 76 451 2 4.1 3.0
1382 BBP-26457 BBP-26457 0.477 0.411 Green 0.79 - 54 -4.8 76 469 2 4.3 3.1
1566 BBP-26149 LEAD BBP-26149 0.469 0.446 Green 0.71 - 58 -4.7 72 440 3 4.2 3.1
1639 BBP-27090 BBP-27090 0.465 0.422 Green 0.74 - 61 -4.8 76 469 2 4.3 3.6
2344 BBP-26525 BBP-26525 0.430 0.432 Yellow 0.69 - 58 -4.8 82 424 2 3.9 2.9
2396 BBP-27114 BBP-27114 0.426 0.437 Yellow 0.70 - 58 -4.8 82 441 2 4.0 3.1
2441 BBP-27449 BBP-27449 0.424 0.447 Yellow 0.76 - 44 -4.8 86 437 2 4.2 3.2
2459 BBP-28399 BBP-28399 0.423 0.425 Yellow 0.72 - 73 -4.8 82 441 2 4.0 3.2
2476 BBP-27462 BBP-27462 0.422 0.459 Yellow 0.63 - 72 -4.7 89 438 2 3.2 3.1
2518 BBP-24682 BBP-24682 0.420 0.447 Yellow 0.72 - 56 -4.8 86 437 2 4.2 3.2
2525 BBP-24199 BBP-24199 0.420 0.494 Yellow 0.64 - 76 -4.8 82 441 2 4.0 3.1
2606 BBP-28215 BBP-28215 0.417 0.418 Yellow 0.69 - 54 -4.8 86 435 2 4.2 3.3
2627 BBP-29131 BBP-29131 0.416 0.443 Yellow 0.75 - 65 -4.8 82 456 2 4.2 3.8
2677 BBP-24683 BBP-24683 0.413 0.425 Yellow 0.67 - 44 -4.7 85 440 3 3.6 3.1
2697 BBP-26917 BBP-26917 0.412 0.477 Yellow 0.69 - 54 -4.8 82 456 2 4.2 3.7
2791 BBP-24366 BBP-24366 0.407 0.481 Yellow 0.61 - 68 -4.7 85 440 3 3.6 3.2
2802 BBP-26509 BBP-26509 0.407 0.558 Yellow 0.70 - 37 -4.8 85 455 3 3.9 3.2
2820 BBP-24858 BBP-24858 0.406 0.447 Yellow 0.62 - 70 -4.8 86 423 2 4.4 3.1
2920 BBP-26936 BBP-26936 0.396 0.465 Yellow 0.60 - 75 -4.8 82 456 2 4.4 3.7
2925 BBP-26700 BBP-26700 0.395 0.407 Yellow 0.63 - 64 -4.8 85 437 3 3.8 3.6
2954 BBP-26956 BBP-26956 0.392 0.471 Yellow 0.58 - 48 -4.8 82 456 2 4.4 3.6
2985 BBP-27548 BBP-27548 0.388 0.393 Yellow 0.64 - 47 -4.7 82 443 3 4.5 3.4
3008 BBP-27460 BBP-27460 0.383 0.524 Yellow 0.66 - 57 -4.8 85 469 3 4.3 3.8
3059 BBP-27161 BBP-27161 0.372 0.448 Yellow 0.53 - 62 -4.8 85 469 3 4.4 3.4
3082 BBP-27174 BBP-27174 0.367 0.500 Yellow 0.56 - 42 -4.8 85 469 3 4.4 4.0
3086 BBP-23726 BBP-23726 0.366 0.326 Yellow 0.62 - 86 -4.8 79 423 2 4.4 2.9
3139 BBP-23463 BBP-23463 0.351 0.419 Yellow 0.74 - 59 -4.7 89 420 2 3.0 3.0
3186 BBP-23411 BBP-23411 0.328 0.409 Red 0.76 - 52 -4.8 82 438 2 4.0 3.6
3200 BBP-23440 BBP-23440 0.323 0.437 Red 0.67 - 64 -4.7 89 452 2 3.5 3.2
3207 BBP-23418 BBP-23418 0.320 0.461 Red 0.77 - 48 -4.8 82 452 2 4.3 3.7
3254 BBP-26493 BBP-26493 0.261 0.443 Red 0.68 - 41 -4.8 85 469 3 4.5 4.0