Compounds (17 results) Scaffold: C1CCC(CCC2CC(CC3CCCC3)CC(C3CC3... ×

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
275 BBP-21926 LEAD BBP-21926 0.535 0.373 Green 0.53 -7.7 31 -4.7 70 370 2 4.0 2.8
387 BBP-21977 BBP-21977 0.529 0.360 Green 0.59 -7.6 24 -4.7 70 384 2 4.4 2.8
511 BBP-20991 BBP-20991 0.522 0.365 Green 0.49 -7.5 33 -4.7 70 366 2 4.2 2.7
596 BBP-21899 BBP-21899 0.518 0.369 Yellow 0.50 -7.2 32 -4.7 70 370 2 4.0 2.8
706 BBP-21874 BBP-21874 0.513 0.383 Green 0.44 -7.6 29 -4.7 70 388 2 4.2 2.9
1726 BBP-21966 BBP-21966 0.461 0.365 Yellow 0.45 -7.3 55 -4.7 83 371 2 3.4 3.1
1989 BBP-21946 BBP-21946 0.450 0.372 Yellow 0.55 -6.7 30 -4.7 83 385 2 3.8 3.1
2041 BBP-20959 BBP-20959 0.447 0.377 Yellow 0.44 -6.9 45 -4.7 83 367 2 3.6 3.0
2104 BBP-22089 BBP-22089 0.443 0.388 Yellow 0.52 -6.8 44 -4.7 83 388 2 4.0 3.1
2134 BBP-27995 BBP-27995 0.442 0.402 Yellow 0.40 - 35 -4.7 70 406 2 4.3 3.1
2141 BBP-21922 BBP-21922 0.442 0.377 Yellow 0.42 -7.0 57 -4.7 83 389 2 3.6 3.2
2211 BBP-21889 BBP-21889 0.437 0.377 Yellow 0.42 -6.6 44 -4.7 83 371 2 3.4 3.1
2343 BBP-19481 BBP-19481 0.430 0.308 Yellow 0.51 -7.0 63 -4.7 82 373 3 4.0 3.5
2477 BBP-21972 BBP-21972 0.422 0.360 Yellow 0.51 -6.7 40 -4.7 83 399 2 4.4 3.6
2529 BBP-22200 BBP-22200 0.419 0.341 Yellow 0.53 - 43 -4.7 83 363 2 3.8 3.0
2691 BBP-22528 BBP-22528 0.412 0.345 Yellow 0.51 - 69 -4.7 83 370 2 3.8 2.8
2939 BBP-22492 BBP-22492 0.394 0.333 Yellow 0.48 - 74 -4.8 83 400 2 4.0 3.2