Compounds (26 results) Scaffold: C1CCC(CC2CCCC(C3CCCC(CC4CCCC4)... ×

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
490 BBP-18245 BBP-18245 0.523 0.295 Yellow 0.63 -7.4 54 -4.7 79 404 2 3.7 3.1
785 BBP-19325 BBP-19325 0.509 0.304 Green 0.56 -7.6 45 -4.7 79 422 2 3.9 3.3
863 BBP-20628 BBP-20628 0.506 0.263 Yellow 0.77 -6.5 51 -4.7 79 393 2 3.9 3.2
866 BBP-19450 BBP-19450 0.506 0.292 Yellow 0.66 -7.2 44 -4.7 74 431 1 4.1 4.1
1146 BBP-19414 BBP-19414 0.491 0.286 Yellow 0.62 -6.8 59 -4.7 79 421 2 4.2 3.2
1771 BBP-19762 BBP-19762 0.459 0.312 Yellow 0.71 -6.9 61 -4.7 82 385 3 3.6 3.0
1808 BBP-21724 BBP-21724 0.458 0.263 Red 0.85 -8.3 58 -4.7 53 384 2 4.3 2.9
1813 BBP-18371 BBP-18371 0.457 0.322 Yellow 0.67 -7.2 65 -4.7 82 385 3 3.6 3.0
1949 BBP-21489 BBP-21489 0.452 0.315 Yellow 0.64 -7.2 54 -4.7 82 403 3 3.8 3.1
2027 BBP-18641 BBP-18641 0.448 0.240 Red 0.87 -8.3 45 -4.7 57 383 2 4.5 3.2
2067 BBP-18279 BBP-18279 0.445 0.322 Yellow 0.59 -7.3 56 -4.7 82 403 3 3.8 3.1
2393 BBP-22168 BBP-22168 0.426 0.315 Yellow 0.65 - 71 -4.7 83 399 2 3.6 3.3
2472 BBP-19354 BBP-19354 0.422 0.308 Red 0.73 -7.7 64 -4.7 70 398 2 4.2 3.1
2560 BBP-17295 BBP-17295 0.418 0.308 Red 0.76 -7.9 51 -4.7 69 384 3 4.2 3.0
2645 BBP-19635 BBP-19635 0.414 0.304 Red 0.76 -7.5 54 -4.7 70 394 2 4.4 3.1
2713 BBP-21694 BBP-21694 0.411 0.356 Red 0.77 -7.4 32 -4.7 73 410 2 3.8 3.1
2829 BBP-19484 BBP-19484 0.405 0.292 Red 0.74 -7.2 56 -4.7 79 410 2 4.1 3.1
2913 BBP-21251 BBP-21251 0.397 0.375 Red 0.77 -6.8 33 -4.7 73 428 2 4.0 3.3
2914 BBP-19289 BBP-19289 0.396 0.304 Red 0.75 -6.7 45 -4.7 70 398 2 4.2 3.1
2955 BBP-19333 BBP-19333 0.392 0.304 Red 0.76 -6.5 43 -4.7 70 398 2 4.2 3.1
2957 BBP-19246 BBP-19246 0.392 0.295 Red 0.72 -7.1 77 -4.7 79 428 2 4.2 3.2
3040 BBP-19669 BBP-19669 0.377 0.268 Red 0.68 -7.2 40 -4.7 70 434 2 4.5 3.5
3063 BBP-22220 BBP-22220 0.371 0.326 Red 0.76 - 43 -4.7 70 398 2 4.2 3.1
3099 BBP-18198 BBP-18198 0.363 0.308 Red 0.78 -6.7 44 -4.7 69 380 3 4.4 3.0
3136 BBP-22266 BBP-22266 0.351 0.304 Red 0.65 - 69 -4.7 70 398 2 4.2 3.3
3252 BBP-22449 BBP-22449 0.289 0.298 Red 0.74 - 58 -4.7 82 428 3 4.3 3.3