Compounds (169 results) Scaffold: C1CCC(CC2CCC(C3CC3)C(CC3CCCC3)... ×

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
157 BBP-24113 LEAD BBP-24113 0.543 0.569 Green 0.64 -7.9 25 -4.7 70 370 2 4.5 3.0
178 BBP-25173 LEAD BBP-25173 0.541 0.474 Green 0.53 -8.2 31 -4.7 70 374 2 4.3 3.1
294 BBP-24111 LEAD BBP-24111 0.533 0.493 Green 0.65 -7.7 29 -4.7 70 370 2 4.5 3.0
358 BBP-24073 LEAD BBP-24073 0.530 0.493 Green 0.61 -7.6 27 -4.7 70 370 2 4.5 2.9
445 BBP-23365 LEAD BBP-23365 0.525 0.513 Green 0.47 -7.8 32 -4.7 70 374 2 4.3 3.0
513 BBP-23635 BBP-23635 0.522 0.500 Yellow 0.52 -7.4 31 -4.7 70 356 2 4.2 3.0
633 BBP-28627 BBP-28627 0.516 0.474 Yellow 0.57 -7.3 32 -4.7 70 370 2 4.5 3.1
772 BBP-28504 BBP-28504 0.510 0.500 Yellow 0.53 -7.4 30 -4.7 73 399 2 4.2 3.1
993 BBP-24108 BBP-24108 0.498 0.487 Yellow 0.53 -6.8 50 -4.7 79 386 2 4.2 3.0
1062 BBP-15777 BBP-15777 0.495 0.427 Yellow 0.60 -7.3 47 -4.7 79 364 2 4.2 2.8
1440 BBP-28251 BBP-28251 0.474 0.398 Green 0.58 - 42 -4.7 70 356 2 4.2 3.1
1449 BBP-23556 BBP-23556 0.474 0.432 Green 0.54 - 31 -4.7 70 356 2 4.2 2.9
1452 BBP-28097 BBP-28097 0.474 0.438 Green 0.57 - 35 -4.7 70 356 2 4.2 3.2
1461 BBP-26435 BBP-26435 0.473 0.395 Green 0.59 - 48 -4.7 70 352 2 4.3 3.1
1494 BBP-25371 BBP-25371 0.472 0.402 Green 0.56 - 32 -4.7 70 352 2 4.3 3.0
1507 BBP-28160 BBP-28160 0.471 0.377 Green 0.57 - 51 -4.7 70 352 2 4.3 3.1
1512 BBP-25174 BBP-25174 0.471 0.400 Green 0.57 - 26 -4.7 70 374 2 4.3 3.2
1519 BBP-25249 BBP-25249 0.470 0.402 Green 0.52 - 38 -4.7 70 356 2 4.2 3.1
1552 BBP-23385 BBP-23385 0.469 0.432 Green 0.50 - 30 -4.7 70 356 2 4.2 2.9
1562 BBP-29093 BBP-29093 0.469 0.432 Green 0.54 - 31 -4.7 70 352 2 4.3 3.0
1568 BBP-25981 BBP-25981 0.469 0.407 Green 0.54 - 31 -4.7 70 370 2 4.5 3.1
1573 BBP-26400 BBP-26400 0.468 0.395 Green 0.55 - 40 -4.7 70 356 2 4.2 3.2
1603 BBP-25087 BBP-25087 0.467 0.420 Green 0.53 - 32 -4.7 70 370 2 4.5 3.1
1627 BBP-25078 BBP-25078 0.466 0.438 Green 0.52 - 29 -4.7 70 370 2 4.5 3.1
1636 BBP-25328 BBP-25328 0.465 0.415 Green 0.50 - 38 -4.7 70 356 2 4.2 3.0
1644 BBP-25304 BBP-25304 0.465 0.386 Green 0.50 - 51 -4.7 70 356 2 4.2 3.1
1652 BBP-26190 BBP-26190 0.464 0.432 Green 0.49 - 31 -4.7 70 356 2 4.2 3.0
1664 BBP-23817 BBP-23817 0.464 0.449 Green 0.50 - 31 -4.7 70 374 2 4.3 3.0
1674 BBP-25224 BBP-25224 0.463 0.407 Green 0.53 - 24 -4.7 70 374 2 4.3 3.3
1680 BBP-23778 BBP-23778 0.463 0.438 Green 0.48 - 32 -4.7 70 356 2 4.2 2.8
1692 BBP-25237 BBP-25237 0.463 0.449 Green 0.48 - 37 -4.7 70 356 2 4.2 3.2
1757 BBP-25236 BBP-25236 0.460 0.427 Green 0.51 - 37 -4.7 70 374 2 4.3 3.3
1764 BBP-25101 BBP-25101 0.459 0.436 Green 0.48 - 34 -4.7 70 374 2 4.3 3.2
1773 BBP-24035 BBP-24035 0.459 0.436 Green 0.46 - 30 -4.7 70 356 2 4.2 2.9
1794 BBP-27765 BBP-27765 0.458 0.449 Green 0.48 - 29 -4.7 70 370 2 4.5 3.0
1819 BBP-25095 BBP-25095 0.457 0.442 Green 0.48 - 49 -4.7 70 374 2 4.3 3.3
1847 BBP-15560 BBP-15560 0.456 0.494 Yellow 0.64 -7.0 39 -4.7 86 382 2 3.5 3.1
1880 BBP-15659 BBP-15659 0.455 0.468 Yellow 0.62 -7.3 36 -4.8 86 378 2 3.7 3.1
1894 BBP-23927 BBP-23927 0.454 0.449 Green 0.45 - 30 -4.7 70 374 2 4.3 3.0
1925 BBP-23393 BBP-23393 0.453 0.370 Green 0.48 - 29 -4.7 70 374 2 4.3 3.3
1975 BBP-26874 BBP-26874 0.450 0.513 Yellow 0.53 -5.7 37 -4.7 73 417 2 4.4 3.5
2157 BBP-25205 BBP-25205 0.441 0.425 Yellow 0.42 - 37 -4.7 70 392 2 4.5 3.3
2275 BBP-15642 BBP-15642 0.433 0.488 Yellow 0.57 -7.4 38 -4.8 86 410 2 4.3 3.2
2311 BBP-27651 BBP-27651 0.432 0.487 Yellow 0.40 - 29 -4.7 70 418 2 4.4 3.6
2402 BBP-15546 BBP-15546 0.426 0.469 Yellow 0.53 -7.2 32 -4.8 86 407 2 4.4 3.2
2420 BBP-26559 BBP-26559 0.425 0.398 Yellow 0.61 - 54 -4.7 86 382 2 3.5 3.2
2454 BBP-27206 BBP-27206 0.423 0.444 Yellow 0.59 - 46 -4.7 86 382 2 3.5 3.2
2492 BBP-27050 BBP-27050 0.421 0.481 Yellow 0.63 - 40 -4.7 83 385 2 4.1 3.3
2509 BBP-24676 BBP-24676 0.420 0.430 Yellow 0.60 - 40 -4.7 83 363 2 4.2 3.1
2528 BBP-24878 BBP-24878 0.420 0.415 Yellow 0.56 - 67 -4.7 83 353 2 3.7 3.1