Compounds (43 results) Scaffold: C1CCC(CC2CCCC(CC3CCC(C4CC4)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
512 BBP-21219 BBP-21219 0.522 0.279 Yellow 0.59 -7.0 35 -4.7 61 370 1 4.2 3.1
575 BBP-21973 BBP-21973 0.520 0.345 Green 0.52 -7.7 24 -4.7 70 370 2 4.5 3.0
806 BBP-20892 BBP-20892 0.508 0.429 Yellow 0.49 -7.2 31 -4.7 70 374 2 4.3 3.0
853 BBP-21995 BBP-21995 0.507 0.358 Yellow 0.52 -7.2 33 -4.7 70 374 2 4.3 2.9
878 BBP-19426 BBP-19426 0.505 0.333 Yellow 0.54 -7.1 32 -4.7 70 352 2 4.3 2.9
918 BBP-18249 BBP-18249 0.503 0.329 Yellow 0.58 -6.8 50 -4.7 70 352 2 4.3 2.8
968 BBP-18260 BBP-18260 0.499 0.283 Yellow 0.61 -6.9 68 -4.7 79 378 2 4.4 2.9
1004 BBP-19344 BBP-19344 0.498 0.345 Yellow 0.54 -6.8 34 -4.7 70 352 2 4.3 2.8
1030 BBP-19606 BBP-19606 0.496 0.258 Yellow 0.53 -6.8 32 -4.7 66 355 2 4.3 2.7
1204 BBP-24927 BBP-24927 0.487 0.342 Green 0.58 - 31 -4.7 74 371 1 3.6 3.2
1242 BBP-26129 BBP-26129 0.485 0.364 Green 0.58 - 45 -4.7 74 385 1 3.9 3.3
1350 BBP-24346 BBP-24346 0.479 0.364 Green 0.53 - 35 -4.7 74 389 1 3.7 3.3
1416 BBP-26263 BBP-26263 0.475 0.346 Green 0.47 - 45 -4.7 74 371 1 3.6 3.3
1428 BBP-22152 BBP-22152 0.475 0.345 Green 0.56 - 55 -4.7 70 356 2 4.2 2.8
1435 BBP-24538 BBP-24538 0.475 0.405 Green 0.54 - 31 -4.7 70 356 2 4.2 2.9
1444 BBP-22317 BBP-22317 0.474 0.329 Green 0.59 - 40 -4.7 70 352 2 4.3 2.8
1504 BBP-26276 BBP-26276 0.471 0.383 Green 0.57 - 32 -4.7 70 370 2 4.5 3.0
1510 BBP-28907 BBP-28907 0.471 0.392 Green 0.56 - 40 -4.7 70 370 2 4.5 3.0
1515 BBP-25975 BBP-25975 0.471 0.429 Green 0.53 - 27 -4.7 70 370 2 4.5 3.0
1523 BBP-22667 BBP-22667 0.470 0.400 Green 0.54 - 53 -4.7 70 370 2 4.5 3.0
1528 BBP-25519 BBP-25519 0.470 0.354 Green 0.61 - 33 -4.7 73 399 2 4.2 3.1
1543 BBP-22857 BBP-22857 0.469 0.360 Green 0.58 - 45 -4.7 79 386 2 4.2 3.0
1544 BBP-26048 BBP-26048 0.469 0.407 Green 0.55 - 51 -4.7 79 386 2 4.2 3.0
1572 BBP-22753 BBP-22753 0.468 0.373 Green 0.55 - 43 -4.7 70 370 2 4.5 3.0
1604 BBP-28560 BBP-28560 0.467 0.418 Green 0.55 - 33 -4.7 73 399 2 4.2 3.1
1640 BBP-27310 BBP-27310 0.465 0.383 Green 0.53 - 39 -4.7 70 374 2 4.3 3.0
1642 BBP-22101 BBP-22101 0.465 0.400 Yellow 0.43 -6.6 51 -4.7 70 392 2 4.5 3.1
1752 BBP-22313 BBP-22313 0.460 0.346 Green 0.48 - 43 -4.7 70 356 2 4.2 2.9
1777 BBP-26059 BBP-26059 0.459 0.423 Green 0.49 - 25 -4.7 73 403 2 4.1 3.1
1824 BBP-22970 BBP-22970 0.457 0.345 Green 0.49 - 27 -4.7 70 374 2 4.3 3.0
2005 BBP-27450 BBP-27450 0.449 0.325 Yellow 0.48 - 51 -4.7 74 436 1 4.0 3.3
2042 BBP-21188 BBP-21188 0.447 0.390 Yellow 0.49 -6.9 49 -4.7 83 353 2 3.7 3.0
2117 BBP-19332 BBP-19332 0.442 0.314 Yellow 0.53 -6.9 51 -4.7 83 370 2 4.3 3.0
2182 BBP-19743 BBP-19743 0.439 0.326 Yellow 0.53 -6.8 65 -4.7 83 356 2 3.9 2.9
2205 BBP-21089 BBP-21089 0.437 0.373 Yellow 0.44 -6.7 49 -4.7 83 357 2 3.6 3.1
2216 BBP-18272 BBP-18272 0.437 0.326 Yellow 0.47 -6.9 44 -4.7 83 356 2 3.9 2.9
2264 BBP-19499 BBP-19499 0.434 0.330 Yellow 0.48 -7.2 50 -4.7 83 389 2 4.3 3.0
2269 BBP-21987 BBP-21987 0.433 0.369 Yellow 0.47 -6.7 54 -4.7 83 371 2 3.9 3.2
2346 BBP-19228 BBP-19228 0.429 0.356 Yellow 0.44 -7.4 59 -4.7 83 407 2 4.5 3.1
2378 BBP-19316 BBP-19316 0.427 0.361 Yellow 0.50 -6.3 63 -4.7 83 353 2 3.7 3.0
2486 BBP-19186 BBP-19186 0.421 0.365 Yellow 0.46 -6.4 48 -4.7 83 374 2 4.1 3.1
2580 BBP-22410 BBP-22410 0.418 0.330 Yellow 0.60 - 42 -4.7 83 363 2 4.2 3.1
2876 BBP-22358 BBP-22358 0.401 0.322 Yellow 0.56 - 39 -4.7 83 388 2 4.5 3.1