Compounds (96 results) Scaffold: C1CCC(CC2CC(CC3CCCC3)CC(C3CCCC... ×

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
116 BBP-22032 BBP-22032 0.548 0.353 Green 0.70 -7.6 26 -4.7 73 385 2 3.9 2.8
149 BBP-21830 BBP-21830 0.544 0.391 Yellow 0.73 -7.4 32 -4.7 73 399 2 3.7 3.4
152 BBP-21846 BBP-21846 0.544 0.391 Yellow 0.75 -7.3 39 -4.7 73 399 2 3.7 3.4
215 BBP-20992 BBP-20992 0.538 0.393 Green 0.69 -7.6 38 -4.7 73 399 2 3.7 3.4
243 BBP-21815 BBP-21815 0.537 0.429 Green 0.65 -7.8 38 -4.7 73 417 2 3.9 3.6
254 BBP-22569 BBP-22569 0.536 0.475 Yellow 0.71 -7.4 39 -4.7 73 417 2 3.9 3.5
277 BBP-21997 BBP-21997 0.535 0.353 Yellow 0.66 -7.3 28 -4.7 73 385 2 3.9 2.8
292 BBP-21790 BBP-21790 0.533 0.451 Yellow 0.73 -6.9 32 -4.7 73 399 2 3.7 3.5
437 BBP-20887 BBP-20887 0.526 0.475 Yellow 0.68 -7.2 30 -4.7 73 413 2 4.0 3.5
470 BBP-19786 BBP-19786 0.524 0.293 Green 0.63 -7.6 53 -4.7 76 367 2 3.8 3.3
597 BBP-22069 BBP-22069 0.518 0.353 Yellow 0.60 -7.5 27 -4.7 73 399 2 4.2 3.0
602 BBP-19543 BBP-19543 0.518 0.308 Yellow 0.61 -7.3 47 -4.7 76 371 2 3.6 3.3
622 BBP-19350 BBP-19350 0.517 0.315 Yellow 0.57 -7.4 54 -4.7 76 371 2 3.6 3.3
641 BBP-20920 BBP-20920 0.516 0.439 Green 0.61 -7.7 32 -4.7 73 435 2 4.0 3.7
760 BBP-19442 BBP-19442 0.510 0.308 Yellow 0.57 -7.2 46 -4.7 76 371 2 3.6 3.3
797 BBP-19471 BBP-19471 0.509 0.304 Yellow 0.57 -7.2 57 -4.7 76 371 2 3.6 3.3
800 BBP-21952 BBP-21952 0.509 0.379 Yellow 0.61 -7.0 49 -4.7 79 386 2 3.8 3.4
813 BBP-19727 BBP-19727 0.508 0.307 Yellow 0.54 -7.4 56 -4.7 76 371 2 3.6 3.3
839 BBP-22593 BBP-22593 0.507 0.463 Green 0.50 -7.6 57 -4.7 79 404 2 3.9 3.6
841 BBP-19791 BBP-19791 0.507 0.281 Yellow 0.64 -7.3 55 -4.7 76 377 2 4.3 3.3
861 BBP-21802 BBP-21802 0.506 0.463 Yellow 0.52 -7.5 54 -4.7 79 400 2 4.1 3.6
874 BBP-22595 BBP-22595 0.505 0.519 Yellow 0.73 -6.7 28 -4.7 73 428 2 4.3 3.6
951 BBP-20890 BBP-20890 0.501 0.423 Yellow 0.55 -6.8 26 -4.7 73 403 2 4.0 2.9
1040 BBP-22646 BBP-22646 0.496 0.400 Green 0.68 - 26 -4.7 73 385 2 3.9 2.9
1124 BBP-22780 BBP-22780 0.492 0.391 Green 0.74 - 31 -4.7 73 395 2 3.9 3.4
1248 BBP-21840 BBP-21840 0.484 0.447 Green 0.63 -7.9 47 -4.7 86 414 2 3.4 3.8
1297 BBP-22499 BBP-22499 0.482 0.287 Green 0.60 - 33 -4.7 70 370 2 3.7 2.6
1316 BBP-20905 BBP-20905 0.480 0.419 Green 0.61 -7.6 47 -4.7 86 400 2 3.1 3.6
1317 BBP-22833 BBP-22833 0.480 0.398 Green 0.74 - 39 -4.7 69 384 3 4.0 3.6
1320 BBP-22583 BBP-22583 0.480 0.439 Green 0.71 - 30 -4.7 60 416 2 4.5 3.6
1321 BBP-22726 BBP-22726 0.480 0.388 Green 0.69 - 47 -4.7 66 385 2 4.4 3.5
1324 BBP-19744 BBP-19744 0.480 0.269 Yellow 0.53 -6.8 43 -4.8 79 400 2 4.2 2.7
1328 BBP-22734 BBP-22734 0.480 0.405 Green 0.69 - 55 -4.7 66 385 2 4.4 3.6
1342 BBP-22640 BBP-22640 0.479 0.439 Green 0.64 - 44 -4.7 79 386 2 3.8 3.5
1345 BBP-22361 BBP-22361 0.479 0.353 Green 0.64 - 28 -4.7 73 381 2 4.1 2.7
1352 BBP-22790 BBP-22790 0.479 0.367 Green 0.72 - 30 -4.7 73 416 2 4.2 3.4
1371 BBP-22303 BBP-22303 0.478 0.354 Green 0.62 - 28 -4.7 73 385 2 3.9 2.8
1385 BBP-22312 BBP-22312 0.477 0.311 Green 0.69 - 24 -4.7 73 399 2 4.3 2.8
1465 BBP-22581 BBP-22581 0.473 0.423 Green 0.57 - 25 -4.7 73 399 2 4.2 2.9
1500 BBP-22659 BBP-22659 0.471 0.405 Green 0.75 - 62 -4.7 73 428 2 4.5 3.9
1524 BBP-22692 BBP-22692 0.470 0.402 Green 0.65 - 45 -4.7 73 417 2 3.9 3.8
1525 BBP-23003 BBP-23003 0.470 0.341 Green 0.71 - 28 -4.7 73 412 2 4.4 3.4
1559 BBP-22652 BBP-22652 0.469 0.422 Green 0.63 - 34 -4.7 76 446 2 3.6 3.5
1590 BBP-22712 BBP-22712 0.468 0.361 Green 0.61 - 27 -4.7 73 417 2 4.3 3.0
1601 BBP-25983 BBP-25983 0.467 0.450 Green 0.62 - 24 -4.7 73 417 2 4.2 3.6
1641 BBP-21932 BBP-21932 0.465 0.402 Yellow 0.68 -6.8 53 -4.7 86 396 2 3.3 3.6
1651 BBP-22688 BBP-22688 0.464 0.422 Green 0.59 - 51 -4.7 79 386 2 4.1 3.5
1663 BBP-22820 BBP-22820 0.464 0.391 Green 0.58 - 69 -4.7 79 386 2 3.8 3.7
1706 BBP-21904 BBP-21904 0.462 0.423 Yellow 0.63 -6.9 45 -4.7 86 396 2 3.3 3.6
1727 BBP-22038 BBP-22038 0.461 0.402 Yellow 0.66 -6.8 39 -4.7 86 396 2 3.3 3.6