Compounds (28 results) Scaffold: C1CCC(C2CC(C3CCCC(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
129 BBP-18248 BBP-18248 0.547 0.322 Yellow 0.62 -7.4 45 -4.7 73 363 2 3.2 2.7
302 BBP-19201 BBP-19201 0.533 0.292 Green 0.47 -7.9 53 -4.7 70 374 2 3.4 3.0
346 BBP-21108 BBP-21108 0.530 0.337 Yellow 0.56 -7.1 57 -4.7 73 367 2 3.1 2.8
381 BBP-19243 BBP-19243 0.529 0.326 Yellow 0.63 -7.0 45 -4.7 73 378 2 3.5 2.8
407 BBP-20944 BBP-20944 0.527 0.341 Yellow 0.60 -6.9 55 -4.7 73 385 2 3.2 2.9
432 BBP-19225 BBP-19225 0.526 0.349 Yellow 0.64 -6.8 46 -4.7 73 381 2 3.4 2.8
515 BBP-20449 BBP-20449 0.522 0.322 Yellow 0.63 -6.9 56 -4.7 73 378 2 3.5 2.8
517 BBP-20979 BBP-20979 0.522 0.341 Yellow 0.65 -6.5 54 -4.7 73 385 2 3.2 2.9
550 BBP-19191 BBP-19191 0.520 0.292 Green 0.45 -7.6 55 -4.7 70 374 2 3.4 3.0
553 BBP-19180 BBP-19180 0.520 0.319 Yellow 0.68 -6.9 49 -4.7 70 380 2 4.3 2.9
617 BBP-20942 BBP-20942 0.517 0.341 Yellow 0.62 -6.4 54 -4.7 73 381 2 3.4 2.9
770 BBP-19705 BBP-19705 0.510 0.229 Yellow 0.51 -7.5 51 -4.7 70 388 2 3.7 3.0
781 BBP-23307 BBP-23307 0.510 0.329 Green 0.76 - 45 -4.7 57 355 2 4.0 2.7
830 BBP-23213 BBP-23213 0.507 0.307 Green 0.65 - 43 -4.7 61 374 1 3.3 3.1
851 BBP-21082 BBP-21082 0.507 0.345 Yellow 0.51 -7.0 52 -4.7 73 403 2 3.3 3.0
855 BBP-23200 BBP-23200 0.506 0.307 Green 0.64 - 40 -4.7 61 374 1 3.3 3.0
880 BBP-19496 BBP-19496 0.505 0.318 Yellow 0.61 -6.8 46 -4.7 73 398 2 3.9 2.8
904 BBP-21009 BBP-21009 0.503 0.341 Yellow 0.49 -6.9 53 -4.7 73 403 2 3.3 3.0
1167 BBP-23323 BBP-23323 0.490 0.303 Green 0.54 - 67 -5.3 74 357 1 2.6 3.2
1226 BBP-23101 BBP-23101 0.486 0.314 Green 0.52 - 50 -5.0 74 375 1 2.7 3.3
1255 BBP-23164 BBP-23164 0.484 0.360 Green 0.53 - 49 -4.7 73 367 2 3.1 2.8
1277 BBP-22216 BBP-22216 0.483 0.333 Green 0.58 - 42 -4.7 70 374 2 3.6 2.9
1422 BBP-22350 BBP-22350 0.475 0.269 Green 0.57 - 41 -4.7 61 405 1 4.0 3.3
1702 BBP-19372 BBP-19372 0.462 0.337 Yellow 0.49 -7.1 54 -5.3 86 364 2 2.6 3.0
1993 BBP-21199 BBP-21199 0.449 0.352 Yellow 0.49 -7.0 62 -4.7 86 403 2 3.1 3.1
2017 BBP-21546 BBP-21546 0.448 0.289 Yellow 0.60 -6.7 67 -4.7 82 408 2 3.2 2.9
2054 BBP-17280 BBP-17280 0.446 0.349 Yellow 0.60 -6.2 49 -4.7 86 378 2 2.9 3.0
2369 BBP-22337 BBP-22337 0.428 0.341 Yellow 0.57 - 65 -4.9 86 382 2 2.8 3.1