Compounds (48 results) Scaffold: C1CCC(CC2CCC(C3CCC(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
280 BBP-20308 BBP-20308 0.534 0.337 Yellow 0.79 -6.6 73 -4.7 75 383 2 3.4 3.0
291 BBP-19432 BBP-19432 0.533 0.311 Yellow 0.80 -6.5 60 -4.7 75 383 2 3.4 3.0
322 BBP-19184 BBP-19184 0.532 0.311 Yellow 0.77 -6.5 72 -4.7 75 387 2 3.2 3.0
326 BBP-20326 BBP-20326 0.532 0.341 Yellow 0.77 -6.6 56 -4.7 75 383 2 3.4 2.9
342 BBP-20603 BBP-20603 0.531 0.297 Yellow 0.73 -6.7 62 -4.7 75 369 2 3.1 2.9
344 BBP-20469 BBP-20469 0.531 0.311 Yellow 0.81 -6.4 56 -4.7 75 383 2 3.4 2.9
475 BBP-21006 BBP-21006 0.524 0.315 Yellow 0.70 -6.8 57 -4.7 75 401 2 3.6 3.1
481 BBP-19805 BBP-19805 0.523 0.297 Yellow 0.73 -6.4 64 -4.7 75 369 2 3.1 2.9
494 BBP-20426 BBP-20426 0.523 0.330 Yellow 0.82 -6.2 69 -4.7 75 383 2 3.4 3.0
503 BBP-20316 BBP-20316 0.523 0.333 Yellow 0.79 -6.5 78 -4.7 75 398 2 3.7 3.0
504 BBP-21709 BBP-21709 0.523 0.275 Yellow 0.76 -6.4 54 -4.7 75 365 2 3.3 2.8
568 BBP-20662 BBP-20662 0.520 0.272 Yellow 0.73 -6.4 61 -4.7 75 365 2 3.3 2.8
607 BBP-19993 BBP-19993 0.518 0.269 Yellow 0.79 -6.4 61 -4.7 75 386 2 3.6 2.8
608 BBP-20439 BBP-20439 0.518 0.315 Yellow 0.81 -6.0 70 -4.7 75 383 2 3.4 3.0
611 BBP-19311 BBP-19311 0.518 0.304 Yellow 0.74 -6.6 71 -4.7 75 404 2 3.8 3.0
636 BBP-19362 BBP-19362 0.516 0.304 Yellow 0.75 -6.6 65 -4.7 75 404 2 3.8 3.1
662 BBP-20117 BBP-20117 0.515 0.333 Yellow 0.73 -6.4 61 -4.7 75 401 2 3.6 3.1
663 BBP-20485 BBP-20485 0.515 0.304 Yellow 0.80 -6.3 58 -4.7 75 398 2 3.7 3.0
684 BBP-20192 BBP-20192 0.514 0.330 Yellow 0.74 -6.4 64 -4.7 75 401 2 3.6 3.1
852 BBP-20462 BBP-20462 0.507 0.307 Yellow 0.69 -7.0 61 -4.7 73 390 3 4.0 3.0
924 BBP-19307 BBP-19307 0.502 0.287 Yellow 0.74 -6.5 47 -4.7 75 415 2 4.3 3.1
1380 BBP-22437 BBP-22437 0.477 0.333 Green 0.73 - 68 -4.7 73 390 3 4.0 3.0
1463 BBP-19800 BBP-19800 0.473 0.263 Yellow 0.75 -6.8 72 -4.7 84 396 2 3.3 2.9
1761 BBP-20541 BBP-20541 0.459 0.318 Yellow 0.71 -7.0 96 -4.7 86 387 3 3.5 3.2
1822 BBP-21758 BBP-21758 0.457 0.284 Yellow 0.71 -6.9 85 -4.7 86 365 3 3.6 3.0
2050 BBP-20576 BBP-20576 0.446 0.333 Yellow 0.62 -6.8 84 -4.7 86 369 3 3.4 3.0
2100 BBP-19480 BBP-19480 0.443 0.300 Red 0.87 -7.2 56 -4.7 62 386 2 3.9 2.8
2128 BBP-20356 BBP-20356 0.442 0.330 Yellow 0.62 -6.3 81 -4.7 88 402 2 3.0 3.3
2132 BBP-20387 BBP-20387 0.442 0.311 Red 0.86 -7.2 63 -4.7 62 386 2 3.9 2.7
2191 BBP-20529 BBP-20529 0.438 0.318 Red 0.85 -7.2 49 -4.7 62 386 2 3.9 2.7
2218 BBP-19403 BBP-19403 0.437 0.297 Red 0.85 -7.1 47 -4.7 62 386 2 3.9 2.8
2316 BBP-19429 BBP-19429 0.431 0.300 Red 0.87 -6.8 47 -4.7 62 386 2 3.9 2.8
2405 BBP-20322 BBP-20322 0.426 0.315 Red 0.79 -7.3 64 -4.7 62 404 2 4.0 2.9
2422 BBP-19539 BBP-19539 0.425 0.303 Red 0.84 -6.8 57 -4.7 62 386 2 3.9 2.7
2448 BBP-22357 BBP-22357 0.424 0.322 Yellow 0.70 - 69 -4.7 86 387 3 3.5 3.2
2464 BBP-20437 BBP-20437 0.423 0.315 Red 0.87 -6.5 34 -4.7 62 386 2 3.9 2.7
2661 BBP-20283 BBP-20283 0.414 0.329 Red 0.80 -6.7 56 -4.7 62 404 2 4.0 2.8
2682 BBP-20231 BBP-20231 0.413 0.310 Red 0.80 -6.7 47 -4.7 62 404 2 4.0 2.9
2761 BBP-21577 BBP-21577 0.409 0.310 Red 0.78 -7.5 68 -4.7 73 382 3 4.3 2.9
2771 BBP-21351 BBP-21351 0.408 0.310 Red 0.76 -7.3 68 -4.7 73 386 3 4.2 2.9
2796 BBP-19388 BBP-19388 0.407 0.300 Red 0.78 -6.7 46 -4.7 62 404 2 4.0 2.9
2816 BBP-20232 BBP-20232 0.406 0.297 Red 0.78 -6.7 59 -4.7 62 400 2 4.2 2.9
2877 BBP-23165 BBP-23165 0.401 0.322 Red 0.87 - 56 -4.7 62 386 2 3.9 2.8
2891 BBP-20370 BBP-20370 0.400 0.319 Red 0.82 -6.3 53 -4.7 62 400 2 4.2 2.9
2904 BBP-20420 BBP-20420 0.398 0.303 Red 0.76 -7.1 74 -4.7 73 386 3 4.2 3.0
3004 BBP-22274 BBP-22274 0.384 0.303 Red 0.81 - 56 -4.7 62 404 2 4.0 2.9
3015 BBP-22199 BBP-22199 0.382 0.303 Red 0.80 - 46 -4.7 62 400 2 4.2 2.9
3102 BBP-22399 BBP-22399 0.363 0.310 Red 0.78 - 77 -4.7 73 386 3 4.2 2.9