Compounds (14 results) Scaffold: C1CCC(CC2CCCC(CC3CCCC3)C2)CC1... ×

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
753 BBP-21663 BBP-21663 0.511 0.262 Yellow 0.46 -7.2 37 -4.7 61 362 1 3.8 3.2
787 BBP-24888 BBP-24888 0.509 0.493 Yellow 0.42 -7.5 30 -4.7 70 362 2 4.1 3.0
1026 BBP-20618 BBP-20618 0.496 0.282 Yellow 0.49 -7.0 22 -4.7 61 368 1 4.5 3.2
1132 BBP-20013 BBP-20013 0.491 0.256 Yellow 0.40 -6.9 32 -4.7 61 358 1 4.0 3.1
1148 BBP-19845 BBP-19845 0.491 0.282 Yellow 0.49 -6.8 40 -4.7 61 368 1 4.5 3.2
1551 BBP-23277 BBP-23277 0.469 0.342 Green 0.43 - 23 -4.7 61 362 1 3.8 3.2
1643 BBP-23152 BBP-23152 0.465 0.342 Green 0.40 - 41 -4.7 61 358 1 3.9 3.2
1736 BBP-25454 BBP-25454 0.460 0.429 Green 0.48 - 27 -4.7 70 376 2 4.4 3.0
1874 BBP-23288 BBP-23288 0.455 0.333 Green 0.50 - 33 -4.7 74 413 1 4.0 3.3
1875 BBP-27521 BBP-27521 0.455 0.421 Green 0.40 - 26 -4.7 70 362 2 4.0 3.0
1948 BBP-15415 BBP-15415 0.452 0.438 Yellow 0.36 -7.3 35 -4.7 86 378 2 2.9 3.0
2200 BBP-19617 BBP-19617 0.438 0.307 Yellow 0.56 -6.5 59 -4.7 83 369 2 4.0 3.1
2479 BBP-15250 BBP-15250 0.422 0.220 Yellow 0.40 -7.2 56 -4.7 73 402 2 3.9 3.7
2922 BBP-16525 BBP-16525 0.396 0.233 Yellow 0.52 -6.5 50 -4.7 85 365 3 3.9 3.3