Compounds (66 results) Scaffold: C1CCC(CC2CCCC(CC3CCC(C4CC4)CC3... ×

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
334 BBP-08861 LEAD BBP-08861 0.531 0.493 Green 0.54 -7.7 41 -4.7 73 399 2 4.2 3.1
403 BBP-02610 LEAD BBP-02610 0.527 0.429 Green 0.50 -7.8 56 -4.7 70 378 2 4.1 3.2
405 BBP-15368 LEAD BBP-15368 0.527 0.486 Green 0.53 -7.6 34 -4.7 70 370 2 4.5 3.0
413 BBP-20069 BBP-20069 0.527 0.314 Yellow 0.55 -7.2 47 -4.7 61 370 1 4.2 3.1
609 BBP-25962 BBP-25962 0.518 0.486 Yellow 0.50 -7.5 55 -4.7 70 374 2 4.3 3.1
616 BBP-02797 BBP-02797 0.517 0.513 Yellow 0.50 -7.4 37 -4.7 70 370 2 4.5 3.0
654 BBP-06555 BBP-06555 0.515 0.380 Yellow 0.54 -6.9 42 -4.7 61 388 1 4.3 3.3
741 BBP-01675 LEAD BBP-01675 0.511 0.480 Green 0.42 -7.7 38 -4.7 70 392 2 4.5 3.1
783 BBP-15393 BBP-15393 0.509 0.400 Yellow 0.54 -7.2 27 -4.7 70 370 2 4.5 3.3
795 BBP-01876 BBP-01876 0.509 0.520 Yellow 0.46 -7.2 37 -4.7 70 374 2 4.3 3.0
819 BBP-00281 BBP-00281 0.508 0.436 Yellow 0.51 -7.1 36 -4.7 70 388 2 4.5 3.2
843 BBP-24176 BBP-24176 0.507 0.467 Yellow 0.43 -7.3 38 -4.7 70 356 2 4.2 3.0
901 BBP-02285 BBP-02285 0.503 0.500 Yellow 0.57 -6.7 34 -4.7 73 399 2 4.2 3.2
931 BBP-10158 BBP-10158 0.502 0.480 Yellow 0.53 -6.5 57 -4.7 73 389 2 3.4 3.8
1009 BBP-02644 BBP-02644 0.497 0.423 Yellow 0.45 -7.0 69 -4.7 70 374 2 4.3 3.0
1072 BBP-25959 BBP-25959 0.494 0.462 Yellow 0.54 -6.6 60 -4.7 79 386 2 4.2 3.0
1171 BBP-23002 BBP-23002 0.489 0.321 Green 0.62 - 24 -4.7 61 366 1 4.4 3.1
1183 BBP-24144 BBP-24144 0.489 0.413 Green 0.58 - 49 -4.7 74 385 1 3.9 3.3
1193 BBP-09203 BBP-09203 0.488 0.407 Yellow 0.55 -6.4 33 -4.7 73 399 2 4.2 3.4
1208 BBP-01959 BBP-01959 0.487 0.520 Yellow 0.48 -6.7 26 -4.7 73 417 2 4.4 3.2
1225 BBP-22585 BBP-22585 0.486 0.385 Green 0.54 - 39 -4.7 61 370 1 4.2 3.2
1233 BBP-22639 BBP-22639 0.486 0.367 Green 0.55 - 40 -4.7 61 370 1 4.2 3.2
1251 BBP-28960 BBP-28960 0.484 0.362 Green 0.60 - 64 -4.7 74 385 1 3.9 3.4
1375 BBP-25397 BBP-25397 0.477 0.395 Green 0.57 - 34 -4.7 70 352 2 4.3 2.8
1377 BBP-29016 BBP-29016 0.477 0.325 Green 0.55 - 46 -4.7 74 389 1 3.7 3.5
1387 BBP-22617 BBP-22617 0.477 0.362 Green 0.53 - 45 -4.7 61 388 1 4.3 3.3
1424 BBP-25126 BBP-25126 0.475 0.400 Green 0.57 - 53 -4.7 70 370 2 4.5 3.0
1425 BBP-26514 BBP-26514 0.475 0.373 Green 0.57 - 40 -4.7 70 352 2 4.3 2.8
1458 BBP-22866 BBP-22866 0.473 0.337 Green 0.48 - 53 -4.7 74 371 1 3.6 3.4
1460 BBP-26008 BBP-26008 0.473 0.412 Green 0.58 - 35 -4.7 70 370 2 4.5 3.2
1483 BBP-25958 BBP-25958 0.472 0.442 Green 0.54 - 41 -4.7 70 370 2 4.5 2.9
1508 BBP-15354 BBP-15354 0.471 0.480 Yellow 0.50 -7.5 50 -4.7 83 371 2 3.9 3.0
1535 BBP-25057 BBP-25057 0.470 0.436 Green 0.55 - 44 -4.7 73 385 2 3.8 3.8
1539 BBP-25945 LEAD BBP-25945 0.469 0.461 Green 0.52 - 51 -4.7 70 370 2 4.5 3.0
1619 BBP-28743 BBP-28743 0.466 0.358 Green 0.53 - 52 -4.7 70 370 2 4.3 3.2
1634 BBP-25073 BBP-25073 0.465 0.461 Green 0.53 - 35 -4.7 73 399 2 4.2 3.1
1647 BBP-26808 BBP-26808 0.465 0.425 Green 0.50 - 43 -4.7 70 370 2 4.5 3.1
1684 BBP-26070 BBP-26070 0.463 0.436 Green 0.44 - 46 -4.7 70 356 2 4.2 2.9
1696 BBP-27726 BBP-27726 0.462 0.410 Green 0.50 - 53 -4.7 70 374 2 4.3 3.2
1717 BBP-28742 BBP-28742 0.461 0.434 Green 0.44 - 52 -4.7 70 356 2 4.2 3.0
1748 BBP-24155 BBP-24155 0.460 0.425 Green 0.53 - 36 -4.7 73 399 2 4.2 3.3
1817 BBP-25988 BBP-25988 0.457 0.436 Green 0.45 - 42 -4.7 70 374 2 4.3 3.2
1871 BBP-29054 BBP-29054 0.455 0.354 Green 0.44 - 35 -4.7 70 356 2 4.2 3.3
1911 BBP-15343 BBP-15343 0.453 0.383 Yellow 0.59 -6.8 49 -4.7 83 385 2 4.2 3.1
1929 BBP-16228 BBP-16228 0.453 0.395 Green 0.47 -7.6 28 -4.7 70 374 2 4.3 3.4
1944 BBP-22961 BBP-22961 0.452 0.366 Green 0.43 - 49 -4.7 70 356 2 4.2 3.0
1960 BBP-02240 BBP-02240 0.451 0.463 Yellow 0.51 -6.8 40 -4.8 86 400 2 3.6 3.3
1963 BBP-25058 BBP-25058 0.451 0.432 Green 0.48 - 31 -4.7 73 399 2 4.1 3.8
1977 BBP-24407 BBP-24407 0.450 0.378 Green 0.41 - 53 -4.7 70 356 2 4.2 3.3
1983 BBP-06843 BBP-06843 0.450 0.480 Yellow 0.43 -7.1 73 -4.7 83 375 2 3.7 3.1