Compounds (16 results) Scaffold: C1CCC(C2CCC(CC3CC(CC4CCCC4)CC(... ×

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
255 BBP-25991 BBP-25991 0.536 0.494 Yellow 0.74 -7.3 38 -4.8 76 455 2 3.9 3.1
349 BBP-27875 BBP-27875 0.530 0.519 Yellow 0.75 -7.4 44 -4.8 76 473 2 4.1 3.2
1396 BBP-21274 BBP-21274 0.476 0.388 Yellow 0.79 -7.1 45 -4.8 86 419 2 4.1 3.1
1420 BBP-26388 LEAD BBP-26388 0.475 0.458 Green 0.74 - 46 -4.8 76 473 2 4.1 3.2
1607 BBP-26626 BBP-26626 0.467 0.375 Green 0.72 - 65 -4.7 72 440 3 4.2 3.1
1653 BBP-27200 BBP-27200 0.464 0.405 Green 0.73 - 58 -4.8 76 469 2 4.3 3.6
2019 BBP-21145 BBP-21145 0.448 0.382 Yellow 0.60 -7.4 42 -4.8 86 455 2 4.2 3.2
2032 BBP-22469 BBP-22469 0.447 0.391 Yellow 0.75 - 58 -4.7 89 420 2 3.0 2.9
2293 BBP-21706 BBP-21706 0.432 0.303 Yellow 0.72 -6.5 75 -4.7 85 404 3 4.1 3.1
2515 BBP-25156 BBP-25156 0.420 0.487 Yellow 0.62 - 48 -4.8 82 441 2 4.0 3.1
2572 BBP-22209 BBP-22209 0.418 0.402 Yellow 0.65 - 67 -4.7 85 423 3 3.4 3.0
2602 BBP-23222 BBP-23222 0.417 0.360 Yellow 0.69 - 62 -4.8 86 440 2 3.9 3.2
2608 BBP-22328 BBP-22328 0.417 0.367 Yellow 0.68 - 52 -4.8 86 437 2 4.1 3.1
2692 BBP-26920 BBP-26920 0.412 0.471 Yellow 0.68 - 50 -4.8 82 456 2 4.2 3.7
2780 BBP-26192 BBP-26192 0.408 0.475 Yellow 0.59 - 46 -4.7 85 440 3 3.6 3.1
3019 BBP-28015 BBP-28015 0.381 0.452 Yellow 0.49 - 67 -4.8 88 442 2 4.3 3.7