Compounds (25 results) Scaffold: C1CCC(CC2CCCC(C3CCC4CCCCC4C3)C... ×

Rank ID Structure Score 1664 Sim Traffic BBB Vina 3D PSA MDCK TPSA MW HBD SlogP SA
28 BBP-20355 BBP-20355 0.574 0.278 Green 0.59 -8.3 35 -4.7 61 374 1 3.3 3.1
59 BBP-19490 BBP-19490 0.559 0.269 Green 0.62 -8.1 46 -4.7 61 391 1 3.8 3.2
136 BBP-20348 BBP-20348 0.546 0.269 Green 0.66 -7.8 42 -4.7 61 406 1 4.1 3.3
300 BBP-21428 BBP-21428 0.533 0.272 Yellow 0.59 -7.0 59 -4.7 74 367 1 3.0 3.2
308 BBP-20479 BBP-20479 0.532 0.286 Yellow 0.63 -6.8 50 -4.7 61 374 1 3.3 3.1
316 BBP-19719 BBP-19719 0.532 0.280 Green 0.53 -8.0 52 -4.7 70 368 2 3.7 3.0
390 BBP-19545 BBP-19545 0.528 0.295 Yellow 0.52 -7.4 52 -4.7 70 360 2 3.2 2.8
395 BBP-21340 BBP-21340 0.528 0.292 Yellow 0.69 -7.2 49 -4.7 63 356 2 4.2 3.4
461 BBP-20537 BBP-20537 0.524 0.272 Yellow 0.55 -7.1 61 -5.3 74 375 1 2.7 3.4
508 BBP-18509 BBP-18509 0.523 0.237 Yellow 0.72 -6.2 50 -4.7 61 352 1 3.3 3.0
516 BBP-20183 BBP-20183 0.522 0.280 Yellow 0.63 -7.1 54 -4.7 70 380 2 4.3 2.7
547 BBP-19503 BBP-19503 0.521 0.283 Green 0.52 -8.1 44 -4.7 70 410 2 4.1 2.9
776 BBP-21588 BBP-21588 0.510 0.235 Yellow 0.64 -7.0 37 -4.7 61 405 1 4.4 3.2
891 BBP-21556 BBP-21556 0.504 0.247 Yellow 0.52 -7.1 51 -4.7 70 362 2 4.1 2.6
979 BBP-20589 BBP-20589 0.499 0.264 Yellow 0.65 -6.9 48 -4.7 76 367 2 4.2 3.5
1113 BBP-22530 BBP-22530 0.492 0.284 Green 0.57 - 38 -4.7 61 366 1 3.6 3.0
1442 BBP-19216 BBP-19216 0.474 0.280 Yellow 0.49 -7.5 62 -4.7 83 371 2 3.0 3.0
1546 BBP-20334 BBP-20334 0.469 0.277 Yellow 0.63 -7.1 61 -4.7 83 381 2 3.5 3.0
1760 BBP-20512 BBP-20512 0.459 0.337 Yellow 0.58 -6.9 58 -4.9 86 382 2 2.7 3.1
1825 BBP-20651 BBP-20651 0.457 0.266 Yellow 0.53 -6.9 61 -4.7 87 382 1 2.9 3.2
2087 BBP-19842 BBP-19842 0.444 0.274 Yellow 0.52 -7.0 71 -4.7 83 393 2 3.4 3.0
2194 BBP-20386 BBP-20386 0.438 0.277 Yellow 0.57 -6.7 63 -4.7 83 395 2 3.9 3.1
2276 BBP-20684 BBP-20684 0.433 0.263 Yellow 0.47 -6.7 67 -4.8 87 408 1 2.8 3.3
2317 BBP-19475 BBP-19475 0.431 0.277 Yellow 0.48 -7.1 73 -4.7 90 400 3 3.3 3.0
2840 BBP-22434 BBP-22434 0.404 0.293 Yellow 0.48 - 70 -4.7 83 374 2 3.4 3.5