Compounds (43 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
238 BBP-19381 BBP-19381 0.537 0.284 Yellow 0.63 -7.4 47 -4.7 70 404 1 3.4 3.4
273 BBP-20197 BBP-20197 0.535 0.315 Yellow 0.73 -6.9 47 -4.7 70 366 2 3.7 3.2
357 BBP-22016 BBP-22016 0.530 0.330 Yellow 0.67 -7.2 49 -4.7 73 403 2 3.4 3.3
496 BBP-21998 BBP-21998 0.523 0.326 Yellow 0.65 -7.0 50 -4.7 73 403 2 3.4 3.3
713 BBP-19187 BBP-19187 0.512 0.295 Green 0.60 -7.7 52 -4.7 70 416 2 4.5 3.5
773 BBP-19272 BBP-19272 0.510 0.315 Green 0.60 -7.6 52 -4.7 70 406 2 4.2 3.7
902 BBP-21131 BBP-21131 0.503 0.330 Yellow 0.56 -7.2 68 -4.7 73 421 2 3.5 3.4
957 BBP-22245 BBP-22245 0.500 0.319 Green 0.73 - 56 -4.7 73 385 2 3.2 3.2
1120 BBP-20475 BBP-20475 0.492 0.284 Yellow 0.70 -7.4 70 -4.7 83 401 1 2.9 3.7
1138 BBP-19348 BBP-19348 0.491 0.298 Yellow 0.63 -6.6 51 -4.7 70 406 2 4.0 3.4
1164 BBP-19839 BBP-19839 0.490 0.287 Yellow 0.72 -7.2 75 -5.3 83 387 1 2.6 3.6
1220 BBP-19749 BBP-19749 0.487 0.284 Yellow 0.64 -6.8 50 -4.8 77 451 1 3.8 3.8
1258 BBP-23158 BBP-23158 0.484 0.304 Green 0.64 - 41 -4.8 77 418 1 2.8 3.8
1280 BBP-23266 BBP-23266 0.483 0.300 Green 0.69 - 41 -4.7 64 435 1 3.5 3.7
1312 BBP-19433 BBP-19433 0.481 0.315 Yellow 0.53 -7.3 52 -4.7 70 420 2 4.4 3.7
1347 BBP-23310 BBP-23310 0.479 0.297 Green 0.62 - 51 -4.7 66 371 2 3.8 3.1
1365 BBP-23278 BBP-23278 0.478 0.300 Green 0.58 - 62 -4.7 79 372 2 3.2 3.2
1570 BBP-22271 BBP-22271 0.468 0.326 Green 0.69 - 50 -4.7 73 435 2 3.9 3.4
1731 BBP-23203 BBP-23203 0.461 0.292 Green 0.58 - 60 -4.7 79 407 2 3.8 3.2
1815 BBP-22260 BBP-22260 0.457 0.312 Green 0.61 - 50 -4.7 70 406 2 4.2 3.7
1988 BBP-21696 BBP-21696 0.450 0.326 Yellow 0.61 -6.9 57 -4.7 82 371 3 3.2 3.0
2243 BBP-20572 BBP-20572 0.435 0.311 Red 0.82 -7.5 33 -4.7 57 365 2 4.3 3.0
2253 BBP-19221 BBP-19221 0.434 0.330 Red 0.87 -7.2 33 -4.7 57 383 2 4.4 3.1
2272 BBP-19315 BBP-19315 0.433 0.308 Red 0.86 -7.2 33 -4.7 57 383 2 4.4 3.1
2287 BBP-22248 BBP-22248 0.433 0.337 Yellow 0.64 - 60 -5.3 86 386 2 2.6 3.4
2291 BBP-19340 BBP-19340 0.432 0.308 Red 0.86 -7.2 55 -4.7 57 383 2 4.4 3.1
2394 BBP-23069 BBP-23069 0.426 0.333 Yellow 0.59 - 69 -5.3 86 386 2 2.6 3.4
2400 BBP-19675 BBP-19675 0.426 0.312 Yellow 0.47 -7.3 67 -4.7 90 404 3 3.2 3.5
2453 BBP-21405 BBP-21405 0.423 0.330 Red 0.83 -6.9 41 -4.7 57 369 2 4.1 3.1
2460 BBP-21467 BBP-21467 0.423 0.319 Yellow 0.56 -7.1 51 -4.7 82 424 3 4.0 3.2
2531 BBP-20617 BBP-20617 0.419 0.360 Red 0.75 -7.4 30 -4.7 73 395 2 3.4 3.1
2583 BBP-20768 BBP-20768 0.417 0.253 Yellow 0.52 -7.2 63 -4.8 87 451 1 4.1 3.9
2595 BBP-19894 BBP-19894 0.417 0.295 Yellow 0.46 -7.7 77 -4.7 90 436 3 3.5 3.8
2616 BBP-23362 BBP-23362 0.416 0.319 Yellow 0.64 - 57 -4.7 82 389 3 3.4 3.1
2663 BBP-19798 BBP-19798 0.414 0.308 Yellow 0.42 -7.5 77 -4.7 90 422 3 3.4 3.7
2755 BBP-21241 BBP-21241 0.409 0.356 Red 0.71 -7.2 31 -4.7 73 413 2 3.6 3.2
2839 BBP-20347 BBP-20347 0.404 0.352 Red 0.76 -6.9 32 -4.7 73 410 2 3.8 3.3
2841 BBP-20172 BBP-20172 0.404 0.352 Red 0.67 -7.2 39 -4.7 73 413 2 3.6 3.3
2879 BBP-21200 BBP-21200 0.401 0.356 Red 0.69 -7.0 33 -4.7 73 413 2 3.6 3.2
2901 BBP-20149 BBP-20149 0.398 0.379 Red 0.71 -6.8 31 -4.7 73 413 2 3.6 3.3
2958 BBP-20246 BBP-20246 0.391 0.348 Red 0.73 -7.0 35 -4.7 73 428 2 3.8 3.7
3007 BBP-20116 BBP-20116 0.384 0.360 Red 0.64 -6.9 30 -4.7 73 431 2 3.7 3.4
3021 BBP-20349 BBP-20349 0.381 0.295 Red 0.78 -6.1 52 -4.7 66 395 2 4.3 3.1