Compounds (249 results) Scaffold: C1CCC(CC2CCC(C3CCCC(CC4CCCC4)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
126 BBP-18280 BBP-18280 0.547 0.292 Yellow 0.72 -7.1 51 -4.7 73 385 2 2.9 2.4
132 BBP-20571 BBP-20571 0.546 0.286 Yellow 0.72 -7.5 63 -4.7 70 362 2 3.9 2.6
142 BBP-20185 BBP-20185 0.545 0.297 Yellow 0.78 -7.2 66 -4.7 70 380 2 4.1 2.7
221 BBP-19143 BBP-19143 0.538 0.322 Yellow 0.72 -7.4 49 -4.7 70 398 2 4.2 2.9
241 BBP-20527 BBP-20527 0.537 0.284 Yellow 0.73 -6.8 58 -4.7 73 385 2 2.9 2.5
244 BBP-19877 BBP-19877 0.537 0.274 Yellow 0.79 -7.1 41 -4.7 70 414 1 4.0 2.9
251 BBP-19425 BBP-19425 0.536 0.293 Yellow 0.73 -6.9 43 -4.7 70 400 1 3.6 2.9
258 BBP-19383 BBP-19383 0.536 0.289 Yellow 0.68 -7.0 55 -4.7 73 403 2 3.0 2.6
268 BBP-18271 BBP-18271 0.535 0.297 Yellow 0.72 -6.9 50 -4.7 70 400 1 3.6 2.9
271 BBP-19209 BBP-19209 0.535 0.311 Yellow 0.71 -7.4 51 -4.7 70 402 2 4.1 2.7
272 BBP-20158 BBP-20158 0.535 0.308 Yellow 0.69 -7.5 52 -4.7 70 402 2 4.1 2.7
313 BBP-19321 BBP-19321 0.532 0.290 Yellow 0.75 -6.8 55 -4.7 70 418 1 3.7 3.0
323 BBP-19238 BBP-19238 0.532 0.292 Yellow 0.73 -6.9 63 -4.7 73 417 2 3.3 2.7
325 BBP-20160 BBP-20160 0.532 0.318 Yellow 0.71 -7.3 51 -4.7 70 402 2 4.1 2.7
333 BBP-21375 BBP-21375 0.531 0.278 Yellow 0.81 -6.8 44 -4.7 70 377 2 4.2 2.7
341 BBP-19361 BBP-19361 0.531 0.289 Yellow 0.67 -6.9 52 -4.7 73 403 2 3.0 2.6
352 BBP-20597 BBP-20597 0.530 0.267 Yellow 0.70 -7.1 80 -4.7 70 362 2 3.9 2.5
365 BBP-19376 BBP-19376 0.529 0.299 Yellow 0.64 -7.0 54 -4.7 73 403 2 3.0 2.6
370 BBP-19400 BBP-19400 0.529 0.292 Yellow 0.65 -6.9 62 -4.7 73 403 2 3.0 2.5
374 BBP-19753 BBP-19753 0.529 0.300 Yellow 0.75 -7.3 40 -4.7 70 398 2 4.3 2.7
376 BBP-21403 BBP-21403 0.529 0.273 Yellow 0.76 -6.9 86 -4.7 70 377 2 4.2 2.6
383 BBP-20976 BBP-20976 0.529 0.368 Green 0.64 -7.8 76 -4.7 70 416 2 4.4 3.1
397 BBP-19357 BBP-19357 0.528 0.318 Yellow 0.74 -7.2 44 -4.7 73 417 2 3.8 3.0
417 BBP-19218 BBP-19218 0.527 0.311 Yellow 0.67 -7.2 57 -4.7 79 404 2 3.7 2.7
420 BBP-19458 BBP-19458 0.526 0.289 Yellow 0.79 -6.7 63 -4.7 70 377 2 4.2 2.7
427 BBP-19474 BBP-19474 0.526 0.280 Yellow 0.72 -6.9 63 -4.7 73 420 2 3.5 2.6
435 BBP-19504 BBP-19504 0.526 0.299 Yellow 0.60 -7.4 70 -4.7 73 421 2 3.1 2.7
446 BBP-19190 BBP-19190 0.525 0.308 Yellow 0.65 -7.3 59 -4.7 79 400 2 3.9 2.7
447 BBP-22102 BBP-22102 0.525 0.308 Green 0.62 -7.9 60 -4.7 70 416 2 4.4 3.0
450 BBP-20331 BBP-20331 0.525 0.280 Yellow 0.72 -6.9 51 -4.7 73 420 2 3.5 2.6
462 BBP-19533 BBP-19533 0.524 0.293 Yellow 0.69 -6.7 47 -4.7 70 400 1 3.6 2.9
482 BBP-20104 BBP-20104 0.523 0.300 Yellow 0.75 -6.9 57 -4.7 70 398 2 4.2 2.9
497 BBP-21319 BBP-21319 0.523 0.308 Yellow 0.69 -6.8 52 -4.7 79 386 2 3.6 2.6
499 BBP-20837 BBP-20837 0.523 0.276 Yellow 0.69 -6.6 58 -4.9 73 367 2 2.7 2.4
529 BBP-19500 BBP-19500 0.522 0.271 Yellow 0.74 -7.0 46 -4.7 70 435 1 4.3 3.0
530 BBP-20360 BBP-20360 0.522 0.297 Yellow 0.80 -6.5 80 -4.7 70 377 2 4.2 2.7
534 BBP-20131 BBP-20131 0.521 0.311 Yellow 0.69 -7.0 53 -4.7 70 402 2 4.1 2.7
554 BBP-19923 BBP-19923 0.520 0.269 Yellow 0.66 -7.0 53 -4.7 73 402 2 3.4 2.5
574 BBP-21587 BBP-21587 0.520 0.290 Green 0.68 -7.5 82 -4.7 79 410 2 4.1 2.8
592 BBP-21598 BBP-21598 0.519 0.286 Yellow 0.70 -6.7 51 -4.7 70 362 2 3.9 2.6
620 BBP-20556 BBP-20556 0.517 0.274 Yellow 0.75 -6.8 69 -4.7 79 393 2 3.9 2.7
638 BBP-21317 BBP-21317 0.516 0.337 Yellow 0.66 -6.8 52 -4.7 73 399 2 3.6 2.7
655 BBP-20087 BBP-20087 0.515 0.356 Yellow 0.66 -7.3 52 -4.7 70 416 2 4.4 3.0
689 BBP-19761 BBP-19761 0.513 0.271 Yellow 0.75 -6.6 52 -4.7 70 417 1 4.1 2.9
696 BBP-20203 BBP-20203 0.513 0.364 Yellow 0.71 -6.8 80 -4.7 70 398 2 4.2 2.9
718 BBP-20511 BBP-20511 0.512 0.298 Yellow 0.69 -7.1 66 -4.7 70 401 2 4.4 2.8
734 BBP-20385 BBP-20385 0.511 0.289 Yellow 0.59 -7.0 53 -4.7 73 421 2 3.1 2.7
747 BBP-21157 BBP-21157 0.511 0.352 Yellow 0.71 -7.1 75 -4.7 79 428 2 4.2 3.0
765 BBP-19277 BBP-19277 0.510 0.298 Yellow 0.65 -7.2 53 -4.7 79 421 2 4.2 2.7
775 BBP-20972 BBP-20972 0.510 0.368 Yellow 0.61 -7.3 62 -4.7 70 416 2 4.4 3.0