Compounds (61 results) Scaffold: C1CCC(C2CCCC(C3CCCC(CC4CCCC4)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
82 BBP-21066 BBP-21066 0.553 0.319 Green 0.74 -7.9 64 -4.7 70 384 2 4.2 3.2
83 BBP-19210 BBP-19210 0.553 0.319 Green 0.65 -8.3 51 -4.7 70 388 2 4.1 3.1
174 BBP-20202 BBP-20202 0.542 0.301 Yellow 0.71 -7.4 40 -4.7 61 398 1 4.2 3.4
210 BBP-19936 BBP-19936 0.539 0.308 Green 0.61 -7.8 66 -4.7 79 372 2 3.1 3.1
293 BBP-20163 BBP-20163 0.533 0.341 Green 0.67 -7.5 52 -4.7 70 388 2 4.1 3.2
327 BBP-19158 BBP-19158 0.531 0.319 Yellow 0.69 -7.3 51 -4.7 70 384 2 4.2 3.1
366 BBP-17934 BBP-17934 0.529 0.303 Green 0.66 -8.0 65 -4.7 66 371 2 3.7 3.1
378 BBP-19594 BBP-19594 0.529 0.301 Green 0.60 -7.6 62 -4.7 79 390 2 3.2 3.2
394 BBP-20161 BBP-20161 0.528 0.330 Yellow 0.64 -7.5 60 -4.7 70 388 2 4.1 3.1
408 BBP-21239 BBP-21239 0.527 0.315 Yellow 0.64 -7.3 66 -4.7 70 366 2 4.1 3.1
453 BBP-21092 BBP-21092 0.525 0.337 Yellow 0.63 -7.5 52 -4.7 70 388 2 4.1 3.4
498 BBP-19175 BBP-19175 0.523 0.333 Yellow 0.71 -7.1 63 -4.7 70 380 2 4.4 3.3
562 BBP-19575 BBP-19575 0.520 0.301 Yellow 0.62 -7.3 65 -4.7 79 390 2 3.2 3.2
566 BBP-19323 BBP-19323 0.520 0.287 Green 0.61 -7.6 64 -4.7 73 421 2 3.2 3.7
601 BBP-19213 BBP-19213 0.518 0.319 Yellow 0.65 -7.1 52 -4.7 70 388 2 4.1 3.1
648 BBP-19359 BBP-19359 0.515 0.284 Green 0.53 -7.8 58 -4.7 79 404 2 3.4 3.5
695 BBP-19395 BBP-19395 0.513 0.326 Yellow 0.72 -6.8 44 -4.7 70 384 2 4.2 3.2
728 BBP-22045 BBP-22045 0.512 0.368 Yellow 0.63 -7.3 37 -4.7 70 402 2 4.4 3.5
804 BBP-20155 BBP-20155 0.508 0.315 Yellow 0.61 -7.3 51 -4.7 70 402 2 4.4 3.2
826 BBP-20066 BBP-20066 0.508 0.337 Yellow 0.73 -6.4 49 -4.7 70 384 2 4.2 3.3
1012 BBP-21214 BBP-21214 0.497 0.293 Yellow 0.70 -7.2 43 -4.7 79 398 3 4.2 3.9
1013 BBP-23221 BBP-23221 0.497 0.298 Green 0.70 - 65 -4.7 74 385 1 3.3 3.6
1023 BBP-20400 BBP-20400 0.497 0.326 Yellow 0.69 -6.5 56 -4.7 73 392 2 4.0 3.3
1105 BBP-19391 BBP-19391 0.492 0.319 Yellow 0.55 -7.1 49 -4.7 70 406 2 4.2 3.2
1109 BBP-20276 BBP-20276 0.492 0.315 Green 0.60 -7.9 61 -4.7 83 371 2 3.3 3.2
1121 BBP-19547 BBP-19547 0.492 0.287 Yellow 0.51 -7.5 66 -4.7 73 439 2 3.4 3.8
1145 BBP-22452 BBP-22452 0.491 0.322 Green 0.77 - 47 -4.7 70 384 2 4.2 3.1
1176 BBP-22062 BBP-22062 0.489 0.341 Green 0.68 -7.6 56 -4.7 83 385 2 3.6 3.3
1364 BBP-23043 BBP-23043 0.478 0.330 Green 0.73 - 48 -4.7 73 410 2 4.1 3.5
1477 BBP-19689 BBP-19689 0.472 0.341 Green 0.66 -7.7 60 -4.8 86 407 2 3.7 3.4
1517 BBP-19542 BBP-19542 0.470 0.295 Yellow 0.75 -7.0 66 -4.7 83 378 2 4.0 3.3
1518 BBP-20147 BBP-20147 0.470 0.333 Yellow 0.69 -7.0 57 -4.7 83 381 2 3.8 3.4
1592 BBP-21287 BBP-21287 0.467 0.316 Yellow 0.71 -6.9 83 -4.7 83 381 2 3.7 3.3
1608 BBP-22182 BBP-22182 0.467 0.326 Green 0.64 - 54 -4.7 70 402 2 4.4 3.3
1612 BBP-19276 BBP-19276 0.466 0.337 Yellow 0.68 -7.0 62 -4.7 83 381 2 3.8 3.3
1660 BBP-22911 BBP-22911 0.464 0.348 Green 0.65 - 41 -4.7 73 428 2 4.3 3.4
1769 BBP-19648 BBP-19648 0.459 0.318 Yellow 0.57 -6.7 71 -5.3 86 368 2 2.2 2.7
1789 BBP-19607 BBP-19607 0.458 0.315 Green 0.67 -7.5 70 -4.7 83 417 2 4.4 3.3
1830 BBP-19220 BBP-19220 0.457 0.319 Yellow 0.66 -7.0 59 -4.7 83 395 2 4.0 3.4
1832 BBP-21148 BBP-21148 0.457 0.348 Yellow 0.66 -6.9 53 -4.7 86 410 2 3.5 3.4
1844 BBP-19413 BBP-19413 0.456 0.333 Yellow 0.53 -7.2 68 -4.7 83 367 2 3.5 3.3
1849 BBP-20296 BBP-20296 0.456 0.316 Yellow 0.67 -6.7 58 -4.7 83 381 2 3.7 3.4
1918 BBP-21334 BBP-21334 0.453 0.318 Yellow 0.65 -7.1 45 -4.7 83 395 2 4.1 3.4
1951 BBP-21636 BBP-21636 0.452 0.323 Green 0.66 -7.7 85 -4.7 86 423 3 4.0 3.2
2000 BBP-19843 BBP-19843 0.449 0.304 Yellow 0.68 -7.3 65 -4.7 83 417 2 4.4 3.4
2016 BBP-20305 BBP-20305 0.448 0.326 Yellow 0.57 -6.9 66 -4.7 83 389 2 3.4 3.4
2029 BBP-21624 BBP-21624 0.447 0.292 Yellow 0.63 -7.4 50 -4.7 82 417 3 3.4 3.5
2084 BBP-19732 BBP-19732 0.444 0.287 Yellow 0.65 -6.9 69 -4.7 83 392 2 4.3 3.3
2164 BBP-19528 BBP-19528 0.440 0.284 Yellow 0.64 -6.9 56 -4.7 83 392 2 4.5 3.3
2174 BBP-19479 BBP-19479 0.439 0.292 Yellow 0.63 -7.1 65 -4.7 83 413 2 4.5 3.5