Compounds (156 results) Scaffold: C1CCC(C2CCC(C3CCCC(CC4CCCC4)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
35 BBP-19302 BBP-19302 0.572 0.308 Green 0.74 -8.0 37 -4.7 61 388 1 3.7 3.4
39 BBP-19262 BBP-19262 0.568 0.304 Green 0.76 -7.9 38 -4.7 61 384 1 3.9 3.5
41 BBP-21240 BBP-21240 0.567 0.318 Green 0.82 -7.8 42 -4.7 57 373 2 4.3 3.1
44 BBP-19294 BBP-19294 0.566 0.308 Green 0.74 -7.8 37 -4.7 61 388 1 3.7 3.4
73 BBP-19554 BBP-19554 0.555 0.315 Yellow 0.75 -7.2 38 -4.7 61 370 1 3.5 3.3
84 BBP-19465 BBP-19465 0.552 0.304 Yellow 0.74 -7.2 42 -4.7 61 370 1 3.5 3.4
90 BBP-21268 BBP-21268 0.552 0.322 Yellow 0.79 -7.5 41 -4.7 57 373 2 4.3 3.1
101 BBP-20070 BBP-20070 0.550 0.312 Green 0.73 -7.8 46 -4.7 70 384 2 4.1 3.2
108 BBP-18240 BBP-18240 0.550 0.322 Yellow 0.74 -7.5 46 -4.7 73 378 2 3.6 3.1
111 BBP-19336 BBP-19336 0.549 0.319 Yellow 0.73 -7.3 38 -4.7 61 388 1 3.7 3.4
148 BBP-20523 BBP-20523 0.544 0.299 Green 0.74 -7.5 82 -4.7 70 369 2 4.1 2.8
164 BBP-20912 BBP-20912 0.543 0.356 Green 0.66 -7.7 48 -4.7 73 399 2 3.6 3.3
172 BBP-19211 BBP-19211 0.542 0.326 Green 0.64 -7.7 46 -4.7 70 374 2 3.7 3.1
176 BBP-21020 BBP-21020 0.541 0.326 Green 0.62 -7.8 53 -4.7 70 366 2 4.0 3.2
184 BBP-19729 BBP-19729 0.540 0.290 Yellow 0.81 -6.9 32 -4.7 61 384 1 3.9 3.4
191 BBP-19584 BBP-19584 0.540 0.272 Yellow 0.78 -6.9 38 -4.7 61 384 1 3.7 3.6
195 BBP-20964 BBP-20964 0.540 0.312 Green 0.69 -7.6 51 -4.7 70 384 2 4.1 3.3
198 BBP-21389 BBP-21389 0.539 0.333 Green 0.63 -7.6 53 -4.7 70 356 2 3.5 3.2
229 BBP-21228 BBP-21228 0.537 0.330 Yellow 0.84 -6.8 47 -4.7 57 369 2 4.4 3.1
247 BBP-21903 BBP-21903 0.536 0.322 Yellow 0.75 -7.2 58 -4.7 70 384 2 4.1 3.4
259 BBP-21097 BBP-21097 0.536 0.348 Yellow 0.69 -7.5 45 -4.7 73 395 2 3.8 3.2
263 BBP-20949 BBP-20949 0.536 0.341 Yellow 0.67 -7.4 50 -4.7 73 399 2 3.6 3.3
266 BBP-20967 BBP-20967 0.535 0.326 Yellow 0.69 -7.1 59 -4.7 70 370 2 3.8 3.2
269 BBP-20978 BBP-20978 0.535 0.326 Yellow 0.64 -7.4 54 -4.7 70 370 2 3.8 3.2
284 BBP-20939 BBP-20939 0.534 0.326 Green 0.65 -7.6 50 -4.7 70 384 2 4.1 3.3
310 BBP-21103 BBP-21103 0.532 0.319 Green 0.68 -7.6 53 -4.7 70 387 2 4.3 3.2
335 BBP-20181 BBP-20181 0.531 0.360 Yellow 0.74 -7.2 42 -4.7 73 395 2 3.8 3.2
343 BBP-21030 BBP-21030 0.531 0.326 Yellow 0.68 -7.1 50 -4.7 70 370 2 3.8 3.2
363 BBP-21983 BBP-21983 0.530 0.326 Green 0.60 -7.7 52 -4.7 70 388 2 4.0 3.3
379 BBP-20357 BBP-20357 0.529 0.277 Yellow 0.76 -7.4 41 -4.7 64 445 1 3.6 4.1
380 BBP-20957 BBP-20957 0.529 0.326 Yellow 0.66 -7.4 71 -4.7 70 388 2 4.0 3.3
388 BBP-21920 BBP-21920 0.528 0.322 Yellow 0.70 -7.2 61 -4.7 70 384 2 4.1 3.4
398 BBP-22117 BBP-22117 0.528 0.310 Yellow 0.62 -7.4 55 -4.7 70 370 2 3.8 3.3
411 BBP-20954 BBP-20954 0.527 0.312 Yellow 0.73 -6.9 51 -4.7 70 384 2 4.1 3.2
431 BBP-18385 BBP-18385 0.526 0.277 Yellow 0.82 -6.9 39 -4.7 64 428 1 3.3 4.1
441 BBP-19144 BBP-19144 0.525 0.371 Yellow 0.73 -7.0 48 -4.7 73 395 2 3.8 3.5
449 BBP-20090 BBP-20090 0.525 0.333 Yellow 0.72 -7.2 47 -4.7 70 387 2 4.3 3.3
456 BBP-19711 BBP-19711 0.525 0.283 Yellow 0.67 -7.1 45 -4.7 74 384 1 3.6 3.6
474 BBP-20902 BBP-20902 0.524 0.356 Yellow 0.62 -7.2 51 -4.7 73 399 2 3.6 3.3
493 BBP-20433 BBP-20433 0.523 0.333 Yellow 0.61 -7.1 51 -4.7 70 356 2 3.5 3.0
524 BBP-19509 BBP-19509 0.522 0.312 Yellow 0.71 -6.7 64 -4.7 74 388 1 3.5 3.6
549 BBP-21517 BBP-21517 0.520 0.311 Yellow 0.66 -7.3 67 -4.7 70 373 2 4.0 3.1
556 BBP-20115 BBP-20115 0.520 0.322 Yellow 0.71 -7.1 48 -4.7 70 387 2 4.3 3.3
569 BBP-20930 BBP-20930 0.520 0.341 Yellow 0.63 -7.1 60 -4.7 73 399 2 3.6 3.3
588 BBP-20938 BBP-20938 0.519 0.341 Yellow 0.68 -6.8 52 -4.7 73 395 2 3.8 3.3
600 BBP-21164 BBP-21164 0.518 0.326 Yellow 0.74 -6.9 57 -4.7 70 380 2 4.3 3.4
657 BBP-20956 BBP-20956 0.515 0.345 Yellow 0.67 -6.6 46 -4.7 70 370 2 3.8 3.3
671 BBP-20195 BBP-20195 0.515 0.308 Yellow 0.66 -6.8 50 -4.7 70 366 2 3.9 3.1
687 BBP-19857 BBP-19857 0.514 0.311 Yellow 0.56 -6.8 74 -4.7 74 353 1 2.8 3.4
729 BBP-19305 BBP-19305 0.511 0.307 Yellow 0.62 -7.1 47 -4.7 70 362 2 4.2 3.2