Compounds (50 results) Scaffold: CC(C1CCCCC1)C1CCC(C2CCCC(CC3CC... ×

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
68 BBP-20114 BBP-20114 0.555 0.315 Green 0.71 -8.3 76 -4.7 74 411 2 4.5 2.7
97 BBP-19188 BBP-19188 0.551 0.319 Green 0.74 -7.9 76 -4.7 74 411 2 4.5 2.6
202 BBP-19172 BBP-19172 0.539 0.319 Green 0.72 -7.6 79 -4.7 74 411 2 4.5 2.6
223 BBP-19173 BBP-19173 0.538 0.322 Green 0.70 -7.7 83 -4.7 74 411 2 4.5 2.6
224 BBP-20120 BBP-20120 0.538 0.308 Yellow 0.74 -7.5 71 -4.7 74 411 2 4.5 2.6
305 BBP-20272 BBP-20272 0.532 0.326 Yellow 0.70 -7.3 61 -4.7 77 430 2 3.5 2.7
314 BBP-19518 BBP-19518 0.532 0.304 Yellow 0.77 -7.1 85 -4.7 74 393 2 4.3 2.5
410 BBP-21247 BBP-21247 0.527 0.326 Yellow 0.68 -7.2 66 -4.7 77 430 2 3.5 2.7
455 BBP-21398 BBP-21398 0.525 0.290 Yellow 0.72 -7.0 89 -4.7 74 397 2 4.2 2.6
467 BBP-21198 BBP-21198 0.524 0.318 Yellow 0.71 -7.2 80 -4.7 74 411 2 4.5 2.7
514 BBP-18459 BBP-18459 0.522 0.245 Yellow 0.70 -7.4 72 -4.7 78 419 1 4.2 2.8
538 BBP-21257 BBP-21257 0.521 0.287 Yellow 0.69 -6.9 92 -4.7 74 397 2 4.2 2.6
539 BBP-20458 BBP-20458 0.521 0.337 Yellow 0.64 -7.4 60 -4.7 77 430 2 3.5 2.7
580 BBP-20088 BBP-20088 0.519 0.326 Yellow 0.73 -6.9 79 -4.7 74 411 2 4.5 2.7
603 BBP-20399 BBP-20399 0.518 0.330 Yellow 0.65 -7.1 63 -4.7 77 430 2 3.5 2.7
619 BBP-19785 BBP-19785 0.517 0.322 Yellow 0.59 -7.3 64 -4.7 77 412 2 3.4 2.6
637 BBP-20629 BBP-20629 0.516 0.275 Yellow 0.68 -7.2 59 -4.7 64 429 2 4.2 2.5
932 BBP-21273 BBP-21273 0.502 0.364 Green 0.64 -8.9 78 -4.7 87 423 2 4.3 2.9
1271 BBP-23093 BBP-23093 0.483 0.301 Green 0.67 - 79 -4.7 74 397 2 4.2 2.6
1306 BBP-22329 BBP-22329 0.481 0.301 Green 0.73 - 65 -4.7 74 411 2 4.5 2.7
1482 BBP-21481 BBP-21481 0.472 0.297 Yellow 0.63 -7.5 86 -4.7 87 390 2 3.9 2.7
1486 BBP-21525 BBP-21525 0.472 0.301 Yellow 0.62 -7.5 100 -4.7 87 394 2 3.7 2.7
1537 BBP-19428 BBP-19428 0.470 0.319 Green 0.53 -8.0 93 -4.7 87 416 2 3.8 2.7
1745 BBP-21478 BBP-21478 0.460 0.352 Yellow 0.56 -7.4 72 -4.7 87 394 2 3.7 2.8
1799 BBP-20244 BBP-20244 0.458 0.308 Yellow 0.63 -7.3 86 -4.7 87 426 2 4.2 2.8
1857 BBP-20428 BBP-20428 0.456 0.315 Yellow 0.63 -6.9 98 -4.7 87 394 2 3.7 2.7
1892 BBP-19399 BBP-19399 0.454 0.315 Green 0.49 -7.6 78 -4.7 87 416 2 3.8 2.7
1895 BBP-21371 BBP-21371 0.454 0.315 Yellow 0.59 -6.9 76 -4.7 87 394 2 3.7 2.7
1896 BBP-21162 BBP-21162 0.454 0.360 Yellow 0.54 -7.4 105 -4.7 87 412 2 3.9 2.9
1915 BBP-21119 BBP-21119 0.453 0.348 Green 0.58 -7.6 78 -4.7 83 441 2 4.5 2.7
2003 BBP-21259 BBP-21259 0.449 0.371 Yellow 0.55 -7.2 105 -4.7 87 412 2 3.9 2.9
2025 BBP-21101 BBP-21101 0.448 0.371 Yellow 0.57 -7.3 79 -4.7 87 430 2 4.0 3.0
2069 BBP-20440 BBP-20440 0.445 0.326 Yellow 0.46 -7.8 79 -4.7 87 434 2 3.9 2.8
2102 BBP-20624 BBP-20624 0.443 0.268 Yellow 0.65 -6.2 76 -4.7 81 448 1 3.2 2.9
2113 BBP-19200 BBP-19200 0.442 0.330 Yellow 0.56 -6.8 72 -4.7 87 412 2 3.9 2.9
2119 BBP-21650 BBP-21650 0.442 0.277 Yellow 0.63 -6.6 97 -4.7 87 390 2 3.9 2.7
2203 BBP-19456 BBP-19456 0.437 0.319 Yellow 0.47 -7.1 92 -4.7 87 416 2 3.8 2.6
2233 BBP-19701 BBP-19701 0.435 0.341 Yellow 0.42 -7.7 81 -4.7 87 434 2 3.9 2.8
2248 BBP-20373 BBP-20373 0.434 0.322 Yellow 0.48 -7.1 80 -4.7 87 416 2 3.8 2.7
2274 BBP-20388 BBP-20388 0.433 0.305 Yellow 0.47 -7.5 85 -4.7 87 433 2 4.3 2.7
2323 BBP-20584 BBP-20584 0.431 0.301 Yellow 0.59 -6.7 105 -4.7 87 411 2 4.2 2.7
2324 BBP-21578 BBP-21578 0.431 0.286 Yellow 0.70 -6.3 66 -4.7 83 423 2 4.3 2.7
2450 BBP-22219 BBP-22219 0.424 0.322 Yellow 0.64 - 99 -4.7 87 412 2 3.9 2.6
2514 BBP-23068 BBP-23068 0.420 0.344 Yellow 0.62 - 69 -4.7 87 412 2 3.9 2.7
2530 BBP-23226 BBP-23226 0.419 0.322 Yellow 0.57 - 91 -4.7 87 398 2 3.5 2.6
2573 BBP-23074 BBP-23074 0.418 0.326 Yellow 0.60 - 82 -4.7 87 412 2 3.9 2.6
2673 BBP-22953 BBP-22953 0.413 0.348 Yellow 0.63 - 90 -4.7 87 426 2 4.2 2.8
2758 BBP-20395 BBP-20395 0.409 0.312 Yellow 0.45 -6.8 68 -4.7 87 433 2 4.3 2.7
2862 BBP-23136 BBP-23136 0.402 0.333 Yellow 0.51 - 79 -4.7 87 416 2 3.7 2.8
2940 BBP-23166 BBP-23166 0.394 0.323 Yellow 0.55 - 72 -4.7 87 429 2 4.4 2.9