Compounds (45 results) Scaffold: C1CCC(CC2CCCC(CC3CCC(C4CCCC4)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
205 BBP-06022 BBP-06022 0.539 0.487 Yellow 0.71 -7.0 42 -4.7 73 417 2 3.9 3.5
276 BBP-06132 BBP-06132 0.535 0.457 Yellow 0.68 -7.3 46 -4.7 73 417 2 3.9 3.6
295 BBP-06615 BBP-06615 0.533 0.360 Yellow 0.76 -6.7 51 -4.7 64 431 1 3.9 3.8
311 BBP-07797 BBP-07797 0.532 0.469 Yellow 0.65 -7.3 39 -4.7 73 417 2 4.2 3.5
424 BBP-07056 BBP-07056 0.526 0.481 Yellow 0.69 -6.8 39 -4.7 73 413 2 4.0 3.5
510 BBP-10113 BBP-10113 0.522 0.458 Yellow 0.67 -7.1 37 -4.7 73 431 2 4.2 3.5
859 BBP-09886 BBP-09886 0.506 0.469 Yellow 0.60 -7.1 58 -4.7 73 431 2 4.5 4.0
876 BBP-06196 BBP-06196 0.505 0.405 Yellow 0.54 -6.8 66 -4.7 76 414 2 3.4 3.8
893 BBP-07040 BBP-07040 0.504 0.470 Yellow 0.62 -6.7 40 -4.7 73 434 2 4.4 3.5
919 BBP-22717 BBP-22717 0.502 0.365 Green 0.80 - 40 -4.7 64 428 1 4.0 3.8
944 BBP-26204 BBP-26204 0.501 0.375 Green 0.78 - 38 -4.7 73 395 2 3.9 3.4
961 BBP-25984 BBP-25984 0.500 0.463 Yellow 0.61 -7.1 44 -4.7 73 434 2 4.4 3.6
974 BBP-26803 BBP-26803 0.499 0.476 Yellow 0.64 -7.0 31 -4.7 73 445 2 4.4 3.7
1125 BBP-09958 BBP-09958 0.491 0.475 Yellow 0.49 -6.6 64 -4.7 79 404 2 3.9 3.6
1126 BBP-28509 BBP-28509 0.491 0.410 Green 0.69 - 56 -4.7 73 399 2 3.7 3.5
1150 BBP-28458 BBP-28458 0.491 0.434 Green 0.73 - 66 -4.7 73 417 2 3.9 3.6
1152 BBP-25943 BBP-25943 0.490 0.457 Green 0.72 - 44 -4.7 73 413 2 4.0 3.5
1184 BBP-25960 BBP-25960 0.489 0.400 Green 0.71 - 58 -4.7 73 417 2 3.9 3.5
1240 BBP-10043 BBP-10043 0.485 0.457 Yellow 0.45 -6.8 65 -4.7 79 404 2 4.3 3.6
1256 BBP-06101 BBP-06101 0.484 0.451 Yellow 0.66 -7.2 58 -4.7 86 418 2 3.3 3.6
1265 BBP-26857 BBP-26857 0.483 0.368 Green 0.72 - 42 -4.7 73 413 2 4.0 3.8
1322 BBP-29028 BBP-29028 0.480 0.375 Green 0.59 - 55 -4.7 73 385 2 3.9 2.9
1325 BBP-25971 BBP-25971 0.480 0.429 Green 0.73 - 39 -4.7 73 428 2 4.4 3.5
1369 BBP-25081 BBP-25081 0.478 0.423 Green 0.59 - 36 -4.7 73 399 2 4.2 2.9
1489 BBP-22729 BBP-22729 0.472 0.373 Green 0.64 - 57 -4.7 73 413 2 3.7 3.8
1536 BBP-25094 BBP-25094 0.470 0.420 Green 0.60 - 49 -4.7 73 413 2 4.5 3.0
1582 BBP-07107 BBP-07107 0.468 0.434 Yellow 0.58 -6.7 68 -4.7 86 400 2 3.1 3.5
1617 BBP-28693 BBP-28693 0.466 0.400 Green 0.53 - 54 -4.7 73 403 2 4.0 3.0
1739 BBP-07231 BBP-07231 0.460 0.474 Yellow 0.49 -7.5 66 -4.7 82 403 3 3.5 3.6
1852 BBP-04172 BBP-04172 0.456 0.438 Yellow 0.39 -7.7 60 -4.8 88 420 2 3.7 3.4
1883 BBP-10290 BBP-10290 0.455 0.480 Yellow 0.35 -7.6 96 -4.7 88 406 2 3.5 3.2
1974 BBP-25114 BBP-25114 0.450 0.427 Green 0.52 - 52 -4.7 79 400 2 4.5 3.5
1985 BBP-06049 BBP-06049 0.450 0.444 Yellow 0.50 -7.3 72 -4.7 82 403 3 3.9 3.6
2137 BBP-28152 BBP-28152 0.442 0.352 Yellow 0.53 - 62 -4.7 79 400 2 4.5 3.8
2297 BBP-22674 BBP-22674 0.432 0.451 Yellow 0.67 - 52 -4.7 86 414 2 3.4 3.5
2517 BBP-26099 BBP-26099 0.420 0.407 Yellow 0.60 - 60 -4.7 86 414 2 3.5 3.5
2643 BBP-00752 BBP-00752 0.415 0.384 Yellow 0.45 -6.7 61 -4.8 83 415 2 4.2 4.1
2743 BBP-26387 BBP-26387 0.410 0.372 Yellow 0.60 - 55 -4.7 82 385 3 3.7 3.5
2937 BBP-28959 BBP-28959 0.394 0.415 Yellow 0.50 - 70 -4.7 82 403 3 3.5 3.6
2948 BBP-25222 BBP-25222 0.393 0.382 Yellow 0.55 - 51 -4.8 82 444 2 4.4 3.5
3036 BBP-26024 BBP-26024 0.378 0.427 Red 0.76 - 27 -4.7 60 398 2 4.3 3.4
3039 BBP-26278 BBP-26278 0.377 0.400 Red 0.80 - 36 -4.7 60 394 2 4.5 3.4
3044 BBP-26382 BBP-26382 0.376 0.364 Red 0.79 - 37 -4.7 60 398 2 4.3 3.4
3061 BBP-22623 BBP-22623 0.371 0.349 Red 0.69 - 45 -4.7 64 413 1 4.1 3.7
3101 BBP-22888 BBP-22888 0.363 0.341 Red 0.75 - 32 -4.7 64 442 1 4.4 3.7