Compounds (16 results) Scaffold: C1CCC(CC2CC(CC3CCCC3)CC(C3CCC3... ×

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
345 BBP-19342 BBP-19342 0.530 0.310 Green 0.58 -7.5 28 -4.7 66 355 2 4.4 2.7
428 BBP-22566 BBP-22566 0.526 0.480 Yellow 0.57 -7.1 58 -4.7 73 399 2 3.6 3.1
577 BBP-19268 BBP-19268 0.519 0.310 Yellow 0.54 -7.3 28 -4.7 66 355 2 4.4 2.7
742 BBP-19222 BBP-19222 0.511 0.318 Yellow 0.50 -7.2 51 -4.7 66 355 2 4.4 2.7
777 BBP-22573 BBP-22573 0.510 0.456 Green 0.68 - 51 -4.7 73 385 2 3.3 3.1
1136 BBP-25956 BBP-25956 0.491 0.423 Green 0.60 - 29 -4.7 73 385 2 3.8 2.9
1390 BBP-26004 BBP-26004 0.476 0.423 Green 0.50 - 29 -4.7 73 389 2 3.6 2.9
1417 BBP-29011 BBP-29011 0.475 0.383 Green 0.52 - 43 -4.7 73 389 2 3.6 2.9
1550 BBP-21818 BBP-21818 0.469 0.444 Green 0.55 -7.5 49 -4.7 83 385 2 4.3 3.2
1845 BBP-21836 BBP-21836 0.456 0.410 Yellow 0.51 -7.3 41 -4.7 83 385 2 4.3 3.2
1879 BBP-21875 BBP-21875 0.455 0.405 Yellow 0.51 -7.4 46 -4.7 83 388 2 4.5 3.1
1931 BBP-24641 BBP-24641 0.453 0.333 Green 0.47 - 34 -4.7 70 374 2 4.4 3.3
2131 BBP-22620 BBP-22620 0.442 0.412 Yellow 0.40 - 29 -4.7 73 421 2 4.1 3.2
2513 BBP-22770 BBP-22770 0.420 0.412 Yellow 0.59 - 38 -4.7 83 381 2 4.4 3.1
2701 BBP-23061 BBP-23061 0.412 0.386 Yellow 0.63 - 74 -4.7 86 428 2 4.1 3.1
2886 BBP-24767 BBP-24767 0.400 0.369 Yellow 0.46 - 56 -4.7 83 371 2 4.0 3.5