Compounds (73 results) Scaffold: C1CCC(C2CC(CC3CCCC3)CC(C3CCCCC... ×

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
70 BBP-21363 BBP-21363 0.555 0.314 Yellow 0.75 -7.1 38 -4.7 73 385 2 2.9 2.6
127 BBP-21554 BBP-21554 0.547 0.298 Yellow 0.72 -7.2 46 -4.7 73 385 2 2.9 2.6
151 BBP-17396 BBP-17396 0.544 0.271 Yellow 0.67 -7.4 44 -4.7 73 363 2 3.0 2.4
211 BBP-21316 BBP-21316 0.538 0.302 Yellow 0.66 -7.3 57 -4.7 73 403 2 3.1 2.7
262 BBP-21293 BBP-21293 0.536 0.325 Yellow 0.68 -7.1 42 -4.7 73 403 2 3.1 2.7
304 BBP-20554 BBP-20554 0.533 0.292 Yellow 0.70 -7.2 44 -4.7 73 402 2 3.5 2.6
306 BBP-18304 BBP-18304 0.532 0.292 Yellow 0.67 -7.4 61 -4.7 73 402 2 3.5 2.6
329 BBP-21529 BBP-21529 0.531 0.292 Yellow 0.69 -7.2 37 -4.7 73 402 2 3.5 2.6
355 BBP-21511 BBP-21511 0.530 0.310 Yellow 0.69 -7.1 44 -4.7 73 402 2 3.5 2.6
468 BBP-21608 BBP-21608 0.524 0.310 Yellow 0.58 -7.1 59 -4.7 79 372 2 3.0 2.6
495 BBP-21154 BBP-21154 0.523 0.333 Yellow 0.66 -7.4 52 -4.7 79 414 2 4.0 2.8
521 BBP-20097 BBP-20097 0.522 0.349 Yellow 0.64 -7.4 55 -4.7 70 402 2 4.1 3.3
537 BBP-20737 BBP-20737 0.521 0.303 Green 0.69 -7.7 44 -4.7 79 366 3 3.8 3.2
565 BBP-17291 BBP-17291 0.520 0.258 Yellow 0.77 -6.9 45 -4.7 73 418 2 4.0 2.5
573 BBP-21429 BBP-21429 0.520 0.326 Yellow 0.62 -7.5 49 -4.7 79 370 3 3.7 2.8
586 BBP-21322 BBP-21322 0.519 0.309 Yellow 0.65 -6.7 37 -4.7 73 403 2 3.1 2.7
685 BBP-21408 BBP-21408 0.514 0.325 Green 0.55 -7.9 66 -4.7 79 388 3 3.8 2.9
848 BBP-21457 BBP-21457 0.507 0.314 Yellow 0.66 -7.1 43 -4.7 73 436 2 4.1 2.7
920 BBP-19892 BBP-19892 0.502 0.318 Yellow 0.63 -7.2 68 -4.7 79 370 3 3.7 3.2
947 BBP-20505 BBP-20505 0.501 0.315 Yellow 0.61 -7.2 66 -4.7 76 371 2 4.4 3.2
983 BBP-20124 BBP-20124 0.499 0.319 Yellow 0.61 -7.0 78 -4.7 79 414 2 4.0 3.3
1015 BBP-21765 BBP-21765 0.497 0.310 Yellow 0.61 -7.0 56 -4.7 66 351 3 4.1 2.7
1074 BBP-21348 BBP-21348 0.494 0.326 Yellow 0.72 -7.2 64 -5.3 86 386 2 2.3 2.8
1122 BBP-22146 BBP-22146 0.492 0.360 Green 0.75 - 53 -4.7 73 410 2 3.9 2.9
1182 BBP-23180 BBP-23180 0.489 0.326 Green 0.72 - 41 -4.7 70 384 2 4.4 2.6
1213 BBP-21032 BBP-21032 0.487 0.365 Yellow 0.74 -6.9 58 -4.7 83 385 2 3.4 2.9
1302 BBP-21495 BBP-21495 0.481 0.283 Yellow 0.68 -7.2 57 -4.7 82 415 2 3.0 2.7
1319 BBP-19178 BBP-19178 0.480 0.348 Yellow 0.70 -7.1 60 -4.7 83 385 2 3.4 3.4
1427 BBP-19278 BBP-19278 0.475 0.348 Yellow 0.69 -7.1 80 -4.7 83 381 2 3.6 3.4
1588 BBP-19330 BBP-19330 0.468 0.345 Yellow 0.63 -6.6 65 -4.7 83 367 2 3.3 2.8
1595 BBP-21434 BBP-21434 0.467 0.322 Yellow 0.61 -6.9 63 -4.7 83 367 2 3.3 2.8
1598 BBP-19803 BBP-19803 0.467 0.319 Yellow 0.64 -7.1 59 -4.7 83 367 2 3.3 3.3
1610 BBP-18217 BBP-18217 0.466 0.250 Yellow 0.79 -6.7 56 -5.3 82 379 2 2.7 2.4
1666 BBP-20579 BBP-20579 0.464 0.293 Yellow 0.64 -7.0 84 -4.7 83 363 2 3.4 3.3
1688 BBP-21416 BBP-21416 0.463 0.310 Yellow 0.60 -7.1 69 -5.3 86 404 2 2.5 3.0
1734 BBP-20611 BBP-20611 0.460 0.307 Yellow 0.61 -6.6 68 -5.3 86 368 2 2.2 2.7
1775 BBP-20853 BBP-20853 0.459 0.282 Yellow 0.71 -7.0 62 -4.7 86 419 2 3.4 2.8
1827 BBP-19445 BBP-19445 0.457 0.330 Yellow 0.62 -6.7 60 -4.7 83 367 2 3.3 3.3
1855 BBP-23029 BBP-23029 0.456 0.337 Green 0.55 - 57 -4.7 79 388 2 4.2 3.1
1885 BBP-20699 BBP-20699 0.455 0.297 Yellow 0.64 -6.8 61 -4.7 83 363 2 3.4 3.2
1889 BBP-20764 BBP-20764 0.454 0.303 Yellow 0.63 -6.9 68 -4.7 83 363 2 3.4 3.3
1947 BBP-22073 BBP-22073 0.452 0.349 Yellow 0.60 -6.8 60 -4.7 83 403 2 3.5 3.1
2012 BBP-20545 BBP-20545 0.449 0.308 Yellow 0.58 -6.7 73 -4.7 83 367 2 3.3 3.3
2095 BBP-18853 BBP-18853 0.443 0.267 Yellow 0.62 -6.4 75 -5.3 86 350 2 2.1 2.5
2144 BBP-20801 BBP-20801 0.441 0.280 Yellow 0.64 -6.8 76 -4.7 90 378 3 3.2 3.1
2145 BBP-21026 BBP-21026 0.441 0.353 Red 0.79 -7.5 40 -4.7 70 384 2 4.0 2.7
2198 BBP-21028 BBP-21028 0.438 0.353 Red 0.80 -7.3 60 -4.7 70 384 2 4.0 2.7
2255 BBP-19189 BBP-19189 0.434 0.337 Red 0.77 -7.7 48 -4.7 70 384 2 4.0 3.2
2279 BBP-18409 BBP-18409 0.433 0.279 Red 0.73 -7.3 40 -4.7 73 363 2 3.0 2.5
2286 BBP-21245 BBP-21245 0.433 0.318 Red 0.71 -7.5 44 -4.7 73 399 2 3.3 2.7