Compounds (105 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
66 BBP-20209 BBP-20209 0.557 0.300 Yellow 0.82 -7.2 80 -4.7 75 380 2 3.6 2.8
95 BBP-21023 BBP-21023 0.551 0.384 Yellow 0.79 -7.1 54 -4.7 62 386 2 3.9 2.9
165 BBP-21583 BBP-21583 0.543 0.311 Yellow 0.71 -7.1 84 -4.7 75 351 2 3.0 2.8
180 BBP-21304 BBP-21304 0.541 0.289 Yellow 0.80 -6.8 79 -4.7 75 380 2 3.6 2.8
239 BBP-21253 BBP-21253 0.537 0.352 Yellow 0.66 -7.1 68 -4.7 75 369 2 3.1 2.9
246 BBP-21288 BBP-21288 0.536 0.384 Yellow 0.77 -6.8 73 -4.7 75 383 2 3.4 2.9
248 BBP-18205 BBP-18205 0.536 0.395 Yellow 0.74 -6.8 66 -4.7 75 383 2 3.4 2.9
249 BBP-21270 BBP-21270 0.536 0.286 Yellow 0.82 -6.5 71 -4.7 75 380 2 3.6 2.8
267 BBP-21745 BBP-21745 0.535 0.261 Yellow 0.78 -6.9 66 -4.7 57 354 2 4.3 2.5
285 BBP-21417 BBP-21417 0.534 0.303 Yellow 0.73 -6.7 72 -4.7 75 365 2 3.3 2.8
289 BBP-21985 BBP-21985 0.534 0.463 Yellow 0.73 -6.8 55 -4.7 75 383 2 3.4 3.0
367 BBP-20339 BBP-20339 0.529 0.319 Yellow 0.77 -6.6 68 -4.7 75 383 2 3.4 3.0
371 BBP-20130 BBP-20130 0.529 0.352 Green 0.68 -7.5 57 -4.7 70 401 2 4.4 2.9
375 BBP-21207 BBP-21207 0.529 0.345 Yellow 0.79 -6.5 42 -4.7 75 383 2 3.4 3.0
422 BBP-21206 BBP-21206 0.526 0.301 Yellow 0.76 -7.0 66 -4.8 73 412 2 4.1 2.9
483 BBP-21144 BBP-21144 0.523 0.297 Yellow 0.71 -7.3 53 -4.7 70 401 2 4.4 3.0
487 BBP-20451 BBP-20451 0.523 0.272 Yellow 0.72 -6.8 75 -4.7 70 369 2 4.0 2.9
531 BBP-21275 BBP-21275 0.522 0.280 Yellow 0.75 -7.1 63 -4.7 75 414 2 4.2 3.0
551 BBP-21305 BBP-21305 0.520 0.289 Green 0.71 -7.7 80 -4.7 73 400 3 4.5 3.0
572 BBP-21284 BBP-21284 0.520 0.315 Yellow 0.72 -6.2 82 -4.7 75 365 2 3.3 2.9
595 BBP-21178 BBP-21178 0.518 0.371 Yellow 0.76 -6.5 57 -4.7 75 398 2 3.9 2.9
632 BBP-21137 BBP-21137 0.516 0.356 Yellow 0.75 -7.0 63 -4.7 75 432 2 4.4 3.0
644 BBP-20241 BBP-20241 0.515 0.286 Yellow 0.79 -6.4 66 -4.7 70 383 2 4.3 2.9
668 BBP-19686 BBP-19686 0.515 0.278 Yellow 0.79 -6.5 63 -4.7 70 383 2 4.3 2.7
676 BBP-22065 BBP-22065 0.514 0.364 Yellow 0.70 -6.9 59 -4.7 70 401 2 4.4 3.0
677 BBP-20466 BBP-20466 0.514 0.286 Yellow 0.73 -6.6 67 -4.7 70 369 2 4.0 3.1
707 BBP-19353 BBP-19353 0.513 0.286 Yellow 0.78 -6.3 70 -4.7 70 383 2 4.3 2.8
730 BBP-20193 BBP-20193 0.511 0.364 Yellow 0.71 -6.6 42 -4.7 70 386 2 4.1 3.0
746 BBP-20279 BBP-20279 0.511 0.289 Yellow 0.77 -6.4 79 -4.7 70 383 2 4.3 2.9
752 BBP-20207 BBP-20207 0.511 0.364 Yellow 0.73 -6.5 64 -4.7 70 386 2 4.1 2.9
756 BBP-21170 BBP-21170 0.510 0.297 Yellow 0.72 -6.5 76 -4.7 70 386 2 4.1 3.0
759 BBP-19363 BBP-19363 0.510 0.275 Yellow 0.78 -6.2 52 -4.7 70 383 2 4.3 2.7
763 BBP-23320 BBP-23320 0.510 0.272 Green 0.76 - 71 -4.7 75 365 2 3.3 2.7
767 BBP-21116 BBP-21116 0.510 0.364 Yellow 0.70 -6.8 57 -4.7 70 401 2 4.4 3.0
822 BBP-20380 BBP-20380 0.508 0.286 Yellow 0.73 -6.2 53 -4.7 70 369 2 4.0 2.8
828 BBP-20588 BBP-20588 0.507 0.278 Yellow 0.72 -6.3 63 -4.7 70 369 2 4.0 2.7
834 BBP-21294 BBP-21294 0.507 0.295 Yellow 0.69 -7.3 83 -4.7 73 404 3 4.3 3.0
842 BBP-20630 BBP-20630 0.507 0.275 Yellow 0.74 -6.2 54 -4.7 70 369 2 4.0 2.7
883 BBP-20145 BBP-20145 0.505 0.352 Yellow 0.70 -6.6 51 -4.7 70 401 2 4.4 2.9
928 BBP-20641 BBP-20641 0.502 0.319 Yellow 0.76 -6.1 52 -4.8 73 398 2 3.8 2.8
956 BBP-22349 BBP-22349 0.500 0.293 Green 0.80 - 79 -4.7 75 398 2 3.7 2.9
963 BBP-20371 BBP-20371 0.500 0.286 Yellow 0.71 -6.0 63 -4.7 70 369 2 4.0 2.8
996 BBP-20146 BBP-20146 0.498 0.368 Yellow 0.68 -6.6 58 -4.7 70 401 2 4.4 3.0
1005 BBP-22135 BBP-22135 0.498 0.368 Green 0.76 - 65 -4.7 75 398 2 3.7 3.0
1057 BBP-20499 BBP-20499 0.495 0.277 Yellow 0.75 -6.0 62 -4.7 75 400 2 3.9 3.0
1070 BBP-21565 BBP-21565 0.494 0.322 Yellow 0.71 -6.4 32 -4.8 73 412 2 4.1 2.9
1095 BBP-21399 BBP-21399 0.493 0.280 Yellow 0.71 -6.8 56 -4.7 75 458 2 4.3 3.0
1156 BBP-20514 BBP-20514 0.490 0.292 Yellow 0.70 -7.3 73 -4.7 88 380 2 3.0 2.8
1275 BBP-17276 BBP-17276 0.483 0.356 Yellow 0.73 -7.3 79 -4.7 83 384 2 4.0 2.9
1333 BBP-20455 BBP-20455 0.480 0.275 Yellow 0.75 -7.2 83 -4.7 83 380 2 4.2 2.9