Compounds (82 results) Scaffold: C1CCC(CC2CC(CC3CCCC3)CC(C3CC3)... ×

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
377 BBP-20889 LEAD BBP-20889 0.529 0.443 Green 0.51 -7.9 28 -4.7 70 370 2 4.5 3.1
501 BBP-25953 BBP-25953 0.523 0.527 Yellow 0.59 -7.2 24 -4.7 70 370 2 4.5 3.0
623 BBP-21885 BBP-21885 0.517 0.425 Yellow 0.54 -7.3 55 -4.7 70 356 2 4.2 3.2
624 BBP-20917 BBP-20917 0.517 0.412 Yellow 0.49 -7.3 32 -4.7 70 356 2 4.2 2.8
628 BBP-18263 BBP-18263 0.516 0.284 Green 0.62 -7.5 32 -4.7 66 377 2 4.2 3.5
631 BBP-21022 BBP-21022 0.516 0.412 Yellow 0.50 -7.5 28 -4.7 70 352 2 4.3 2.8
673 BBP-19140 BBP-19140 0.515 0.507 Yellow 0.46 -7.5 26 -4.7 70 374 2 4.3 3.0
692 BBP-21888 BBP-21888 0.513 0.412 Yellow 0.53 -7.1 26 -4.7 70 356 2 4.2 2.9
722 BBP-20906 LEAD BBP-20906 0.512 0.412 Green 0.47 -7.6 28 -4.7 70 374 2 4.3 3.0
732 BBP-28470 BBP-28470 0.511 0.480 Yellow 0.51 -7.3 49 -4.7 79 386 2 4.2 3.0
754 BBP-21797 BBP-21797 0.511 0.425 Yellow 0.52 -7.3 66 -4.7 70 370 2 4.5 3.3
811 BBP-20999 BBP-20999 0.508 0.416 Yellow 0.45 -7.4 22 -4.7 70 356 2 4.2 2.9
923 BBP-20897 BBP-20897 0.502 0.377 Yellow 0.55 -7.0 40 -4.7 79 386 2 4.2 3.0
925 BBP-21896 BBP-21896 0.502 0.407 Yellow 0.49 -6.9 36 -4.7 70 356 2 4.2 2.9
943 BBP-20903 LEAD BBP-20903 0.501 0.467 Green 0.41 -7.8 26 -4.7 70 392 2 4.5 3.2
953 BBP-22565 BBP-22565 0.501 0.507 Yellow 0.49 -6.9 26 -4.7 70 370 2 4.5 3.0
971 BBP-21943 BBP-21943 0.499 0.418 Yellow 0.46 -7.0 36 -4.7 70 356 2 4.2 2.8
997 BBP-21878 BBP-21878 0.498 0.425 Yellow 0.46 -7.0 41 -4.7 70 356 2 4.2 3.1
1027 BBP-21031 BBP-21031 0.496 0.381 Yellow 0.49 -6.9 49 -4.7 79 368 2 4.0 2.9
1101 BBP-21832 BBP-21832 0.493 0.412 Yellow 0.47 -7.0 45 -4.7 70 374 2 4.3 3.2
1110 BBP-19567 BBP-19567 0.492 0.303 Yellow 0.54 -7.0 38 -4.7 76 371 2 4.4 2.8
1431 BBP-28527 BBP-28527 0.475 0.400 Green 0.54 - 37 -4.7 70 400 1 4.2 3.3
1495 BBP-25532 BBP-25532 0.472 0.366 Green 0.48 - 34 -4.7 74 371 1 3.6 3.4
1584 BBP-21856 BBP-21856 0.468 0.405 Green 0.57 -7.6 46 -4.7 83 385 2 4.3 3.3
1673 BBP-22582 BBP-22582 0.463 0.407 Green 0.52 - 57 -4.7 70 370 2 4.5 3.2
1682 BBP-20994 BBP-20994 0.463 0.402 Green 0.46 -7.6 43 -4.7 83 353 2 3.7 3.1
1691 BBP-27324 BBP-27324 0.463 0.395 Green 0.51 - 27 -4.7 70 356 2 4.2 3.2
1716 BBP-28535 LEAD BBP-28535 0.462 0.461 Green 0.47 - 36 -4.7 70 374 2 4.3 3.0
1728 BBP-24239 BBP-24239 0.461 0.412 Green 0.49 - 50 -4.7 70 370 2 4.5 3.0
1746 BBP-22025 BBP-22025 0.460 0.407 Yellow 0.51 -7.2 71 -4.7 83 353 2 3.7 3.1
1751 BBP-22457 BBP-22457 0.460 0.353 Green 0.49 - 57 -4.7 79 350 2 3.9 2.7
1782 BBP-22683 BBP-22683 0.459 0.425 Green 0.50 - 44 -4.7 70 374 2 4.3 3.3
1792 BBP-21824 BBP-21824 0.458 0.438 Green 0.44 -7.6 41 -4.7 83 371 2 3.9 3.2
1801 BBP-21921 BBP-21921 0.458 0.443 Yellow 0.45 -7.4 41 -4.7 83 353 2 3.7 3.1
1811 BBP-20921 BBP-20921 0.458 0.443 Yellow 0.40 -7.5 64 -4.7 83 357 2 3.6 3.1
1823 BBP-21831 BBP-21831 0.457 0.456 Green 0.41 -7.7 46 -4.7 83 375 2 3.7 3.3
1831 BBP-21013 BBP-21013 0.457 0.425 Yellow 0.46 -7.3 42 -4.7 83 353 2 3.7 3.1
1856 BBP-24195 BBP-24195 0.456 0.423 Green 0.47 - 26 -4.7 70 374 2 4.3 3.3
1860 BBP-22664 BBP-22664 0.456 0.420 Green 0.48 - 56 -4.7 70 374 2 4.3 3.3
1881 BBP-26140 BBP-26140 0.455 0.402 Green 0.47 - 52 -4.7 70 374 2 4.3 3.3
1902 BBP-21898 BBP-21898 0.454 0.462 Yellow 0.46 -7.1 43 -4.7 83 357 2 3.6 3.2
1946 BBP-21853 BBP-21853 0.452 0.439 Yellow 0.52 -6.9 40 -4.7 83 367 2 4.0 3.1
1965 BBP-27588 BBP-27588 0.451 0.349 Green 0.49 - 26 -4.7 70 374 2 4.3 3.3
1970 BBP-21989 BBP-21989 0.451 0.438 Yellow 0.49 -7.0 55 -4.7 83 353 2 3.7 3.1
1971 BBP-22678 BBP-22678 0.451 0.425 Green 0.44 - 51 -4.7 70 374 2 4.3 3.2
1986 BBP-20952 BBP-20952 0.450 0.425 Yellow 0.49 -6.9 72 -4.7 83 353 2 3.7 3.1
1995 BBP-20931 BBP-20931 0.449 0.432 Yellow 0.49 -7.2 61 -4.7 83 374 2 4.1 3.2
2026 BBP-29068 BBP-29068 0.448 0.370 Yellow 0.40 - 51 -4.7 70 356 2 4.2 3.3
2035 BBP-22057 BBP-22057 0.447 0.393 Yellow 0.58 -6.7 50 -4.7 83 363 2 4.2 3.1
2058 BBP-21839 BBP-21839 0.446 0.444 Yellow 0.52 -7.2 40 -4.7 83 388 2 4.4 3.2