Compounds (21 results) Scaffold: C1CCC(CCC2CCCC(CC3CCC(C4CC4)C3... ×

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
733 BBP-19937 BBP-19937 0.511 0.261 Yellow 0.55 -7.4 31 -4.7 70 369 2 4.4 2.6
736 BBP-21062 BBP-21062 0.511 0.310 Yellow 0.59 -7.0 30 -4.7 70 384 2 4.4 2.9
885 BBP-21193 BBP-21193 0.505 0.310 Yellow 0.55 -6.8 31 -4.7 70 370 2 4.0 2.8
890 BBP-19324 BBP-19324 0.504 0.303 Yellow 0.54 -6.9 38 -4.7 70 370 2 4.0 2.8
903 BBP-19271 BBP-19271 0.503 0.307 Yellow 0.53 -6.8 42 -4.7 70 370 2 4.0 2.7
927 BBP-20022 BBP-20022 0.502 0.295 Yellow 0.57 -7.0 28 -4.7 70 366 2 4.3 2.6
969 BBP-19559 BBP-19559 0.499 0.283 Yellow 0.51 -7.1 41 -4.7 70 366 2 4.2 2.9
1042 BBP-18335 BBP-18335 0.495 0.310 Yellow 0.54 -6.6 31 -4.7 70 352 2 3.9 2.6
1081 BBP-18336 BBP-18336 0.494 0.299 Yellow 0.55 -6.5 41 -4.7 70 352 2 3.9 2.6
1093 BBP-19882 BBP-19882 0.493 0.289 Yellow 0.52 -6.6 31 -4.7 70 352 2 3.9 2.6
1175 BBP-18243 BBP-18243 0.489 0.310 Yellow 0.56 -6.2 33 -4.7 70 370 2 4.0 2.7
1180 BBP-19883 BBP-19883 0.489 0.273 Yellow 0.47 -7.0 48 -4.7 70 362 2 4.3 2.6
1212 BBP-19600 BBP-19600 0.487 0.295 Yellow 0.56 -6.3 29 -4.7 70 366 2 4.2 2.7
1276 BBP-19447 BBP-19447 0.483 0.303 Yellow 0.55 -6.2 30 -4.7 70 366 2 4.2 2.8
1890 BBP-22190 BBP-22190 0.454 0.318 Green 0.46 - 53 -4.7 70 388 2 4.2 2.9
1926 BBP-19352 BBP-19352 0.453 0.315 Yellow 0.44 -7.3 40 -4.7 83 367 2 3.6 3.0
2049 BBP-19943 BBP-19943 0.446 0.300 Yellow 0.50 -6.8 54 -4.7 83 353 2 3.3 2.9
2097 BBP-19592 BBP-19592 0.443 0.292 Yellow 0.54 -7.3 38 -4.7 83 395 2 4.2 3.2
2258 BBP-19930 BBP-19930 0.434 0.300 Yellow 0.49 -6.4 56 -4.7 83 353 2 3.3 2.9
2340 BBP-19334 BBP-19334 0.430 0.318 Yellow 0.46 -6.4 46 -4.7 83 367 2 3.6 2.9
2739 BBP-23060 BBP-23060 0.410 0.310 Yellow 0.59 - 65 -4.7 83 385 2 4.0 3.6