Compounds (17 results) Scaffold: CC(C1CCCCC1)C1CCC(C2CCCC(CC3CC... ×

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
77 BBP-21569 BBP-21569 0.554 0.290 Green 0.76 -7.8 77 -4.7 61 382 2 4.4 2.8
122 BBP-20166 BBP-20166 0.547 0.312 Green 0.69 -7.9 68 -4.7 74 397 2 4.1 3.1
384 BBP-21504 BBP-21504 0.529 0.284 Yellow 0.72 -7.1 71 -4.7 74 379 2 3.9 3.0
396 BBP-21452 BBP-21452 0.528 0.284 Yellow 0.74 -6.8 91 -4.7 74 383 2 3.8 3.0
460 BBP-21698 BBP-21698 0.524 0.269 Yellow 0.66 -7.1 83 -4.7 74 361 2 3.8 2.9
548 BBP-21541 BBP-21541 0.521 0.283 Yellow 0.67 -7.1 92 -4.7 74 383 2 3.8 3.0
560 BBP-21354 BBP-21354 0.520 0.295 Yellow 0.67 -6.9 79 -4.7 74 383 2 3.8 3.0
604 BBP-21668 BBP-21668 0.518 0.284 Yellow 0.66 -6.8 72 -4.7 74 365 2 3.6 2.9
935 BBP-20398 BBP-20398 0.501 0.312 Yellow 0.62 -7.3 67 -4.7 74 418 2 4.4 3.2
1194 BBP-22523 BBP-22523 0.488 0.281 Green 0.69 - 91 -4.7 74 383 2 3.8 3.1
1346 BBP-22542 BBP-22542 0.479 0.298 Green 0.71 - 67 -4.7 74 393 2 4.2 3.1
1402 BBP-22518 BBP-22518 0.476 0.295 Green 0.67 - 88 -4.7 74 401 2 3.9 3.2
1556 BBP-22396 BBP-22396 0.469 0.298 Green 0.61 - 68 -4.7 74 401 2 3.9 3.2
1800 BBP-21449 BBP-21449 0.458 0.319 Yellow 0.63 -6.8 87 -4.7 87 380 2 3.3 3.2
1876 BBP-19581 BBP-19581 0.455 0.312 Green 0.46 -7.7 79 -4.7 87 402 2 3.4 3.1
2065 BBP-21717 BBP-21717 0.445 0.308 Yellow 0.45 -7.1 91 -4.7 87 366 2 3.0 3.1
2762 BBP-23328 BBP-23328 0.409 0.298 Yellow 0.49 - 95 -4.7 87 384 2 3.2 3.2