Compounds (28 results) Scaffold: C1CCC(C2CCC3C(CC4CCCC4)CC(C4CC... ×

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
288 BBP-17299 BBP-17299 0.534 0.263 Green 0.76 -7.8 53 -4.7 73 434 2 4.5 2.5
809 BBP-17307 BBP-17307 0.508 0.272 Yellow 0.75 -7.0 61 -4.7 73 434 2 4.5 2.5
1259 BBP-18399 BBP-18399 0.484 0.308 Yellow 0.69 -7.4 66 -4.7 86 400 2 3.2 2.6
1864 BBP-16287 BBP-16287 0.455 0.263 Yellow 0.66 -6.6 89 -4.7 86 400 2 3.2 2.6
1872 BBP-16286 BBP-16286 0.455 0.275 Yellow 0.66 -6.6 85 -4.7 86 400 2 3.2 2.6
1893 BBP-18295 BBP-18295 0.454 0.305 Yellow 0.69 -7.2 59 -4.8 86 453 2 4.0 2.8
1906 BBP-18460 BBP-18460 0.454 0.280 Yellow 0.74 -6.9 58 -4.8 86 435 2 3.9 2.6
2063 BBP-18321 BBP-18321 0.446 0.274 Yellow 0.67 -7.1 56 -4.8 86 449 2 4.2 2.7
2082 BBP-18751 BBP-18751 0.444 0.206 Yellow 0.69 -6.6 75 -4.7 86 415 2 3.5 2.6
2107 BBP-19898 BBP-19898 0.443 0.319 Yellow 0.69 -6.8 56 -4.8 86 453 2 4.0 2.8
2351 BBP-18308 BBP-18308 0.429 0.293 Red 0.77 -7.7 47 -4.7 73 417 2 4.0 2.5
2468 BBP-17277 BBP-17277 0.423 0.322 Red 0.72 -7.9 41 -4.7 73 435 2 4.1 2.6
2502 BBP-17287 BBP-17287 0.420 0.307 Red 0.77 -7.4 52 -4.7 73 417 2 4.0 2.5
2725 BBP-16278 BBP-16278 0.411 0.269 Red 0.78 -7.2 47 -4.7 73 414 2 4.1 2.5
2778 BBP-16283 BBP-16283 0.408 0.278 Red 0.78 -6.8 65 -4.7 73 400 2 3.8 2.4
2858 BBP-16279 BBP-16279 0.402 0.278 Red 0.78 -6.9 64 -4.7 73 414 2 4.1 2.5
3067 BBP-18391 BBP-18391 0.369 0.289 Red 0.72 -7.7 58 -4.7 86 415 2 3.5 2.6
3084 BBP-18352 BBP-18352 0.366 0.315 Red 0.73 -7.5 58 -4.7 86 418 2 3.4 2.6
3104 BBP-18345 BBP-18345 0.363 0.301 Red 0.73 -7.4 60 -4.7 86 418 2 3.4 2.7
3116 BBP-18266 BBP-18266 0.359 0.330 Red 0.67 -7.6 55 -4.7 86 436 2 3.5 2.8
3123 BBP-18462 BBP-18462 0.357 0.286 Red 0.70 -7.2 58 -4.7 86 400 2 3.2 2.6
3133 BBP-17301 BBP-17301 0.352 0.258 Red 0.75 -7.2 79 -4.8 82 430 2 3.8 2.5
3141 BBP-17283 BBP-17283 0.350 0.312 Red 0.70 -7.0 84 -4.7 86 418 2 3.4 2.7
3155 BBP-17512 BBP-17512 0.342 0.176 Red 0.73 -7.1 69 -4.7 86 415 2 3.5 2.7
3156 BBP-19988 BBP-19988 0.342 0.274 Red 0.71 -7.0 58 -4.8 86 429 2 3.8 2.7
3165 BBP-18401 BBP-18401 0.338 0.266 Red 0.73 -6.8 64 -4.8 82 430 2 3.8 2.5
3205 BBP-18664 BBP-18664 0.321 0.194 Red 0.72 -7.0 63 -4.8 86 443 2 4.2 2.7
3216 BBP-18534 BBP-18534 0.316 0.301 Red 0.59 -6.9 59 -4.7 89 444 2 3.3 2.7