Compounds (38 results) Scaffold: CC(C1CCCCC1)C1CCCC(C2CCCC(CC3C... ×

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
88 BBP-21301 BBP-21301 0.552 0.295 Green 0.66 -8.7 79 -4.7 74 415 2 4.3 3.2
233 BBP-20199 BBP-20199 0.537 0.305 Green 0.69 -8.0 71 -4.7 74 411 2 4.5 3.1
235 BBP-19303 BBP-19303 0.537 0.312 Green 0.68 -8.0 66 -4.7 74 411 2 4.5 3.1
250 BBP-19226 BBP-19226 0.536 0.315 Green 0.70 -7.9 55 -4.7 74 411 2 4.5 3.1
261 BBP-19513 BBP-19513 0.536 0.312 Yellow 0.75 -7.5 65 -4.7 74 393 2 4.3 3.0
317 BBP-19768 BBP-19768 0.532 0.295 Yellow 0.75 -7.5 83 -4.7 74 393 2 4.3 3.0
386 BBP-20282 BBP-20282 0.529 0.315 Green 0.62 -8.1 81 -4.7 74 415 2 4.3 3.2
451 BBP-21682 BBP-21682 0.525 0.266 Yellow 0.68 -7.4 83 -4.7 74 375 2 4.2 2.9
502 BBP-19291 BBP-19291 0.523 0.308 Yellow 0.73 -7.3 87 -4.7 74 411 2 4.5 3.1
520 BBP-19267 BBP-19267 0.522 0.308 Yellow 0.70 -7.4 72 -4.7 74 411 2 4.5 3.1
669 BBP-20359 BBP-20359 0.515 0.315 Yellow 0.67 -7.1 81 -4.7 74 397 2 4.2 3.1
817 BBP-19446 BBP-19446 0.508 0.308 Yellow 0.68 -7.1 72 -4.7 74 411 2 4.5 3.1
1002 BBP-20421 BBP-20421 0.498 0.308 Yellow 0.57 -7.4 78 -4.7 74 415 2 4.3 3.2
1326 BBP-22516 BBP-22516 0.480 0.281 Green 0.71 - 97 -4.7 74 397 2 4.2 3.0
1534 BBP-22404 BBP-22404 0.470 0.287 Green 0.64 - 84 -4.7 74 397 2 4.2 3.1
1586 BBP-23184 BBP-23184 0.468 0.319 Green 0.69 - 83 -4.7 74 411 2 4.5 3.2
1600 BBP-22442 BBP-22442 0.467 0.301 Green 0.68 - 71 -4.7 74 415 2 4.3 3.2
1626 BBP-23315 BBP-23315 0.466 0.295 Green 0.69 - 77 -4.7 74 411 2 4.5 3.2
1686 BBP-19454 BBP-19454 0.463 0.315 Green 0.57 -7.7 89 -4.7 87 412 2 3.9 3.1
1715 BBP-23103 BBP-23103 0.462 0.284 Green 0.63 - 88 -4.7 74 411 2 4.5 3.1
1922 BBP-19674 BBP-19674 0.453 0.305 Yellow 0.58 -7.3 97 -4.7 87 394 2 3.7 3.2
1941 BBP-19360 BBP-19360 0.452 0.312 Yellow 0.60 -7.2 86 -4.7 87 412 2 3.9 3.1
1964 BBP-20484 BBP-20484 0.451 0.296 Yellow 0.66 -7.2 88 -4.7 83 423 2 4.3 3.1
1973 BBP-19390 BBP-19390 0.450 0.319 Yellow 0.59 -7.2 74 -4.7 87 412 2 3.9 3.1
2002 BBP-19387 BBP-19387 0.449 0.322 Yellow 0.61 -7.3 71 -4.7 87 430 2 4.0 3.2
2011 BBP-19728 BBP-19728 0.449 0.295 Yellow 0.64 -6.9 101 -4.7 87 390 2 3.9 3.1
2031 BBP-20367 BBP-20367 0.447 0.322 Yellow 0.47 -7.7 80 -4.7 87 416 2 3.7 3.3
2048 BBP-19393 BBP-19393 0.446 0.312 Yellow 0.62 -6.9 86 -4.7 87 412 2 3.9 3.1
2068 BBP-19933 BBP-19933 0.445 0.284 Yellow 0.58 -7.2 61 -4.7 87 390 2 3.9 3.2
2154 BBP-19306 BBP-19306 0.441 0.319 Yellow 0.53 -7.2 81 -4.7 87 412 2 3.9 3.3
2168 BBP-20798 BBP-20798 0.440 0.292 Yellow 0.56 -7.3 90 -4.7 87 397 2 3.9 3.2
2193 BBP-20550 BBP-20550 0.438 0.295 Yellow 0.57 -6.8 96 -4.7 87 394 2 3.7 3.2
2251 BBP-20493 BBP-20493 0.434 0.277 Yellow 0.64 -6.7 85 -4.7 87 405 2 4.2 3.2
2289 BBP-20238 BBP-20238 0.432 0.319 Yellow 0.57 -6.8 94 -4.7 87 412 2 3.9 3.3
2333 BBP-19891 BBP-19891 0.430 0.278 Yellow 0.56 -7.1 82 -4.7 87 411 2 4.2 3.2
2339 BBP-20464 BBP-20464 0.430 0.305 Yellow 0.48 -7.2 90 -4.7 87 416 2 3.8 3.1
2865 BBP-22386 BBP-22386 0.402 0.305 Yellow 0.58 - 98 -4.7 87 412 2 3.9 3.4
2889 BBP-22406 BBP-22406 0.400 0.330 Yellow 0.57 - 111 -4.7 87 408 2 4.0 3.3