Compounds (207 results) Scaffold: C1CCC(C2CCC(C3CCCC(CC4CCCC4)C3... ×

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
42 BBP-19247 BBP-19247 0.567 0.315 Green 0.76 -7.8 45 -4.7 61 402 1 4.1 3.0
47 BBP-18257 BBP-18257 0.565 0.322 Yellow 0.82 -7.3 38 -4.7 61 384 1 3.9 2.8
60 BBP-20337 BBP-20337 0.559 0.318 Yellow 0.83 -7.0 45 -4.7 61 384 1 3.9 2.9
69 BBP-21969 BBP-21969 0.555 0.393 Green 0.74 -7.8 37 -4.7 70 384 2 4.2 2.8
79 BBP-20298 BBP-20298 0.553 0.302 Green 0.66 -7.6 52 -4.7 73 389 2 3.0 2.6
87 BBP-20389 BBP-20389 0.552 0.295 Yellow 0.73 -7.3 52 -4.7 73 381 2 3.3 2.5
93 BBP-21005 BBP-21005 0.551 0.314 Yellow 0.78 -7.4 69 -4.7 70 384 2 4.2 2.8
102 BBP-19872 BBP-19872 0.550 0.272 Yellow 0.77 -7.3 55 -4.7 74 385 1 3.3 3.3
110 BBP-21573 BBP-21573 0.549 0.322 Green 0.69 -7.7 54 -4.7 70 352 2 3.8 2.6
112 BBP-21166 BBP-21166 0.549 0.322 Green 0.78 -7.8 50 -4.7 70 384 2 4.3 3.4
114 BBP-20546 BBP-20546 0.548 0.315 Yellow 0.80 -7.0 43 -4.7 61 380 1 4.1 2.9
118 BBP-20056 BBP-20056 0.548 0.353 Yellow 0.76 -7.4 63 -4.7 70 384 2 4.2 2.9
119 BBP-20154 BBP-20154 0.548 0.353 Yellow 0.77 -7.1 37 -4.7 61 402 1 4.1 3.0
131 BBP-19364 BBP-19364 0.546 0.300 Yellow 0.76 -7.2 49 -4.7 61 402 1 4.1 2.9
133 BBP-21180 BBP-21180 0.546 0.333 Yellow 0.81 -7.2 58 -4.7 70 380 2 4.4 2.7
135 BBP-19369 BBP-19369 0.546 0.311 Yellow 0.80 -6.7 41 -4.7 61 384 1 3.9 2.9
140 BBP-20033 BBP-20033 0.545 0.318 Yellow 0.71 -7.5 51 -4.7 70 352 2 3.8 2.5
143 BBP-21087 BBP-21087 0.545 0.310 Yellow 0.80 -7.1 68 -4.7 70 380 2 4.4 2.6
158 BBP-19244 BBP-19244 0.543 0.315 Yellow 0.76 -7.0 39 -4.7 61 402 1 4.1 2.9
159 BBP-20290 BBP-20290 0.543 0.299 Yellow 0.69 -7.1 52 -4.7 73 385 2 3.2 2.5
160 BBP-19532 BBP-19532 0.543 0.299 Yellow 0.70 -7.2 53 -4.7 73 381 2 3.3 2.5
183 BBP-20923 BBP-20923 0.541 0.348 Green 0.69 -7.6 50 -4.7 73 413 2 4.0 2.8
185 BBP-21053 BBP-21053 0.540 0.345 Yellow 0.74 -7.2 37 -4.7 70 384 2 4.2 2.6
208 BBP-20918 BBP-20918 0.539 0.393 Yellow 0.73 -7.2 69 -4.7 70 384 2 4.2 2.9
217 BBP-21961 BBP-21961 0.538 0.381 Green 0.68 -7.5 58 -4.7 70 384 2 4.2 2.9
227 BBP-19520 BBP-19520 0.538 0.301 Yellow 0.78 -7.2 37 -4.7 61 416 1 4.5 3.0
257 BBP-19163 BBP-19163 0.536 0.345 Yellow 0.66 -7.4 52 -4.7 70 388 2 4.1 2.7
270 BBP-21037 BBP-21037 0.535 0.315 Green 0.71 -7.9 62 -4.7 70 402 2 4.4 3.5
274 BBP-20476 BBP-20476 0.535 0.312 Yellow 0.71 -7.4 40 -4.7 60 394 2 4.2 2.7
296 BBP-21691 BBP-21691 0.533 0.292 Green 0.72 -7.7 59 -4.7 73 421 2 3.7 2.7
298 BBP-19223 BBP-19223 0.533 0.330 Yellow 0.66 -7.1 52 -4.7 70 370 2 3.9 2.6
309 BBP-21265 BBP-21265 0.532 0.310 Yellow 0.73 -7.2 80 -4.7 70 380 2 4.4 2.7
324 BBP-19666 BBP-19666 0.532 0.300 Yellow 0.78 -6.9 35 -4.7 61 401 1 4.5 2.9
332 BBP-21163 BBP-21163 0.531 0.341 Yellow 0.67 -7.1 62 -4.7 70 370 2 3.9 2.7
347 BBP-20946 BBP-20946 0.530 0.348 Yellow 0.73 -7.0 48 -4.7 73 413 2 4.0 2.8
373 BBP-19157 BBP-19157 0.529 0.333 Yellow 0.67 -7.1 53 -4.7 70 388 2 4.1 2.7
418 BBP-20364 BBP-20364 0.527 0.326 Yellow 0.75 -7.0 70 -4.7 70 387 2 4.4 2.6
429 BBP-21098 BBP-21098 0.526 0.348 Yellow 0.74 -6.8 55 -4.7 73 395 2 3.8 3.0
457 BBP-19470 BBP-19470 0.524 0.319 Yellow 0.72 -6.8 60 -4.7 74 402 1 3.8 3.1
458 BBP-20535 BBP-20535 0.524 0.341 Yellow 0.62 -6.8 60 -4.7 74 367 1 3.2 3.0
464 BBP-20094 BBP-20094 0.524 0.315 Yellow 0.75 -6.7 51 -4.7 70 384 2 4.2 2.8
473 BBP-20083 BBP-20083 0.524 0.333 Yellow 0.68 -6.9 52 -4.7 70 388 2 4.1 2.6
476 BBP-21370 BBP-21370 0.524 0.333 Yellow 0.66 -6.9 51 -4.7 70 370 2 3.9 2.6
478 BBP-20222 BBP-20222 0.524 0.341 Yellow 0.64 -6.9 52 -4.7 70 370 2 3.9 2.5
479 BBP-21380 BBP-21380 0.524 0.298 Yellow 0.77 -7.2 55 -4.7 74 428 1 4.5 3.3
492 BBP-20415 BBP-20415 0.523 0.333 Yellow 0.66 -7.0 52 -4.7 70 366 2 4.1 2.5
522 BBP-21067 BBP-21067 0.522 0.292 Yellow 0.71 -7.2 49 -4.7 70 398 2 4.4 3.1
525 BBP-20196 BBP-20196 0.522 0.308 Yellow 0.71 -6.9 45 -4.7 74 420 1 4.0 3.2
526 BBP-20446 BBP-20446 0.522 0.337 Yellow 0.69 -6.9 41 -4.7 73 395 2 3.6 2.7
532 BBP-20447 BBP-20447 0.522 0.272 Yellow 0.72 -6.9 46 -4.7 74 421 1 3.6 3.5