Compounds (21 results) Scaffold: C1CCC(C2CC(CC3CCCC3)C(C3CC3)C(... ×

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
700 BBP-25677 LEAD BBP-25677 0.513 0.446 Green 0.87 - 36 -4.7 73 425 2 3.8 2.8
709 BBP-24876 LEAD BBP-24876 0.513 0.446 Green 0.87 - 40 -4.7 73 425 2 3.8 2.8
774 BBP-25862 LEAD BBP-25862 0.510 0.429 Green 0.87 - 37 -4.7 73 422 2 4.0 2.8
802 BBP-25842 LEAD BBP-25842 0.509 0.429 Green 0.86 - 37 -4.7 73 422 2 4.0 2.8
862 BBP-25040 BBP-25040 0.506 0.400 Green 0.86 - 39 -4.7 73 418 2 4.2 2.8
889 BBP-27618 BBP-27618 0.504 0.463 Yellow 0.74 -6.4 38 -4.7 73 443 2 4.0 2.9
1060 BBP-27368 BBP-27368 0.495 0.441 Green 0.75 - 51 -4.7 79 412 2 3.9 2.8
1084 BBP-24979 BBP-24979 0.494 0.419 Green 0.81 - 35 -4.7 73 440 2 4.2 2.8
1106 BBP-25652 BBP-25652 0.492 0.441 Green 0.73 - 54 -4.7 79 412 2 3.9 2.8
1135 BBP-24991 BBP-24991 0.491 0.402 Green 0.81 - 40 -4.7 73 432 2 4.4 2.8
1168 BBP-27405 BBP-27405 0.490 0.446 Green 0.76 - 37 -4.7 73 443 2 4.0 2.9
1197 BBP-25805 LEAD BBP-25805 0.488 0.451 Green 0.72 - 54 -4.7 79 412 2 3.9 2.8
1198 BBP-26718 BBP-26718 0.488 0.446 Green 0.76 - 37 -4.7 73 443 2 4.0 2.9
1353 BBP-25864 BBP-25864 0.479 0.446 Green 0.72 - 56 -4.7 79 426 2 4.2 2.9
1376 BBP-27565 BBP-27565 0.477 0.420 Green 0.76 - 52 -4.7 79 426 2 4.3 3.4
1389 BBP-25900 BBP-25900 0.477 0.435 Green 0.72 - 54 -4.7 79 426 2 4.2 3.0
1429 BBP-25823 BBP-25823 0.475 0.430 Green 0.71 - 53 -4.7 79 429 2 4.4 2.8
1781 BBP-27568 BBP-27568 0.459 0.419 Green 0.78 - 62 -4.7 86 408 2 3.1 2.9
1838 BBP-25768 BBP-25768 0.457 0.435 Green 0.77 - 62 -4.7 86 408 2 3.1 2.9
2181 BBP-26793 BBP-26793 0.439 0.427 Yellow 0.78 - 63 -4.7 86 423 2 3.5 3.5
2236 BBP-25860 BBP-25860 0.435 0.458 Yellow 0.82 - 74 -4.7 83 422 2 4.4 3.1