Compounds (3260 results)

All Green Yellow Leads
Rank ID Structure Score 1664 Sim Traffic BBB Vina 3D PSA MDCK TPSA MW HBD SlogP SA
2001 BBP-27192 BBP-27192 0.449 - Yellow 0.79 - 37 -4.8 86 406 2 3.8 4.0
2002 BBP-19387 BBP-19387 0.449 - Yellow 0.61 -7.3 71 -4.7 87 430 2 4.0 3.2
2003 BBP-21259 BBP-21259 0.449 - Yellow 0.55 -7.2 105 -4.7 87 412 2 3.9 2.9
2004 BBP-22899 BBP-22899 0.449 - Yellow 0.53 - 62 -4.7 79 386 2 4.1 3.7
2005 BBP-27450 BBP-27450 0.449 - Yellow 0.48 - 51 -4.7 74 436 1 4.0 3.3
2006 BBP-19959 BBP-19959 0.449 - Yellow 0.56 -6.6 70 -4.7 88 366 2 3.1 2.9
2007 BBP-22322 BBP-22322 0.449 - Yellow 0.47 - 56 -4.7 83 365 2 3.5 3.1
2008 BBP-23023 BBP-23023 0.449 - Yellow 0.57 - 41 -4.7 79 393 2 4.4 3.5
2009 BBP-25758 BBP-25758 0.449 - Yellow 0.70 - 52 -4.7 88 378 2 3.4 2.9
2010 BBP-19394 BBP-19394 0.449 - Yellow 0.60 -6.3 68 -4.7 83 373 2 3.5 3.3
2011 BBP-19728 BBP-19728 0.449 - Yellow 0.64 -6.9 101 -4.7 87 390 2 3.9 3.1
2012 BBP-20545 BBP-20545 0.449 - Yellow 0.58 -6.7 73 -4.7 83 367 2 3.3 3.3
2013 BBP-21575 BBP-21575 0.448 - Yellow 0.71 -6.4 87 -4.8 83 384 2 4.0 3.4
2014 BBP-26522 BBP-26522 0.448 - Yellow 0.77 - 69 -4.7 83 393 2 4.0 2.9
2015 BBP-27498 BBP-27498 0.448 - Yellow 0.69 - 53 -4.7 89 438 2 3.2 3.2
2016 BBP-20305 BBP-20305 0.448 - Yellow 0.57 -6.9 66 -4.7 83 389 2 3.4 3.4
2017 BBP-21546 BBP-21546 0.448 - Yellow 0.60 -6.7 67 -4.7 82 408 2 3.2 2.9
2018 BBP-19435 BBP-19435 0.448 - Yellow 0.63 -6.8 54 -4.7 83 407 2 3.5 3.2
2019 BBP-21145 BBP-21145 0.448 - Yellow 0.60 -7.4 42 -4.8 86 455 2 4.2 3.2
2020 BBP-22246 BBP-22246 0.448 - Yellow 0.72 - 74 -4.7 89 420 2 3.0 3.0
2021 BBP-22768 BBP-22768 0.448 - Yellow 0.50 - 79 -4.7 79 404 2 3.9 3.6
2022 BBP-24830 BBP-24830 0.448 - Yellow 0.60 - 62 -4.7 88 364 2 3.0 2.9
2023 BBP-21954 BBP-21954 0.448 - Yellow 0.66 -6.8 56 -4.8 86 455 2 4.4 3.8
2024 BBP-21970 BBP-21970 0.448 - Yellow 0.66 -7.0 48 -4.8 86 431 2 3.9 3.7
2025 BBP-21101 BBP-21101 0.448 - Yellow 0.57 -7.3 79 -4.7 87 430 2 4.0 3.0
2026 BBP-29068 BBP-29068 0.448 - Yellow 0.40 - 51 -4.7 70 356 2 4.2 3.3
2027 BBP-18641 BBP-18641 0.448 - Red 0.87 -8.3 45 -4.7 57 383 2 4.5 3.2
2028 BBP-24854 BBP-24854 0.448 - Yellow 0.60 - 61 -4.7 88 364 2 3.0 3.0
2029 BBP-21624 BBP-21624 0.447 - Yellow 0.63 -7.4 50 -4.7 82 417 3 3.4 3.5
2030 BBP-22779 BBP-22779 0.447 - Yellow 0.55 - 60 -4.7 73 434 2 4.2 3.5
2031 BBP-20367 BBP-20367 0.447 - Yellow 0.47 -7.7 80 -4.7 87 416 2 3.7 3.3
2032 BBP-22469 BBP-22469 0.447 - Yellow 0.75 - 58 -4.7 89 420 2 3.0 2.9
2033 BBP-27148 BBP-27148 0.447 - Yellow 0.72 - 40 -4.8 86 394 2 3.6 3.1
2034 BBP-20608 BBP-20608 0.447 - Yellow 0.71 -6.8 61 -4.7 86 378 3 4.2 3.5
2035 BBP-22057 BBP-22057 0.447 - Yellow 0.58 -6.7 50 -4.7 83 363 2 4.2 3.1
2036 BBP-26925 BBP-26925 0.447 - Yellow 0.63 - 61 -4.8 82 439 2 3.8 4.2
2037 BBP-27296 BBP-27296 0.447 - Yellow 0.74 - 41 -4.8 86 394 2 3.6 3.1
2038 BBP-19825 BBP-19825 0.447 - Yellow 0.66 -6.8 66 -4.7 83 393 2 3.7 4.2
2039 BBP-20577 BBP-20577 0.447 - Yellow 0.57 -6.4 65 -5.3 88 366 2 2.7 2.8
2040 BBP-24857 BBP-24857 0.447 - Yellow 0.45 - 45 -4.7 79 399 2 4.4 2.7
2041 BBP-20959 BBP-20959 0.447 - Yellow 0.44 -6.9 45 -4.7 83 367 2 3.6 3.0
2042 BBP-21188 BBP-21188 0.447 - Yellow 0.49 -6.9 49 -4.7 83 353 2 3.7 3.0
2043 BBP-22555 BBP-22555 0.447 - Yellow 0.70 - 72 -4.9 87 386 1 2.7 3.3
2044 BBP-26660 BBP-26660 0.447 - Yellow 0.73 - 58 -4.7 83 375 2 4.0 2.9
2045 BBP-19341 BBP-19341 0.446 - Yellow 0.65 -6.6 68 -4.8 83 400 2 3.9 2.9
2046 BBP-26615 BBP-26615 0.446 - Yellow 0.44 - 63 -4.7 83 357 2 3.5 3.2
2047 BBP-26674 BBP-26674 0.446 - Yellow 0.59 - 60 -4.7 88 364 2 3.0 3.0
2048 BBP-19393 BBP-19393 0.446 - Yellow 0.62 -6.9 86 -4.7 87 412 2 3.9 3.1
2049 BBP-19943 BBP-19943 0.446 - Yellow 0.50 -6.8 54 -4.7 83 353 2 3.3 2.9
2050 BBP-20576 BBP-20576 0.446 - Yellow 0.62 -6.8 84 -4.7 86 369 3 3.4 3.0