• Drug Bank
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 of 344
Records 941 to 960 of 6870
 
Molecule Name
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TPSA
cLogS
MW
cLogP
HBA
HBD
Ro5 violations
Druglikeness
DrugScore
Blood-Brain Barrier
Human Intestinal Absorption
Caco-2 Permeability
DB01098 mol2, pdbqt 149,3 -5,732 481,543 2,1001 9 3 0 3,4539 0,493927184837756 BBB- HIA+ Caco2-
DB01099 mol2, pdbqt 67,48 -3,129 129,094 -0,3654 4 2 0 -0,021102 0,691867437664875 BBB+ HIA+ Caco2-
DB01100 mol2, pdbqt 35,58 -6,473 461,554 5,8969 4 1 1 6,3642 0,184994986196933 BBB+ HIA+ Caco2-
DB01101 mol2, pdbqt 120,69 -3,374 359,353 0,4743 9 3 0 -21,328 0,161598189873047 BBB+ HIA+ Caco2-
DB01102 mol2, pdbqt 92,95 -2,143 317,384 2,0959 5 5 0 -0,24758 0,388348082285228 BBB- HIA+ Caco2-
DB01103 mol2, pdbqt 37,39 -5,578 399,964 5,256 4 1 1 6,4856 0,124224181949359 BBB+ HIA+ Caco2+
DB01104 mol2, pdbqt 12,03 -4,773 306,235 4,1999 1 1 0 0,25233 0,490968563648995 BBB+ HIA+ Caco2+
DB01105 mol2, pdbqt 3,24 -4,069 279,853 4,2703 1 0 0 1,4302 0,627992368392903 BBB+ HIA+ Caco2+
DB01106 mol2, pdbqt 64,33 -5,478 420,526 2,9988 4 1 0 -2,9282 0,294099401555245 BBB+ HIA+ Caco2+
DB01107 mol2, pdbqt 46,17 -1,796 183,25 1,2488 3 1 0 5,7198 0,957079935307806 BBB+ HIA+ Caco2+
DB01108 mol2, pdbqt 76,78 -4,28 329,438 2,0986 4 2 0 -3,2225 0,318949746599695 BBB+ HIA+ Caco2+
DB01110 mol2, pdbqt 27,05 -5,081 416,134 4,8504 3 0 0 4,7237 0,490432589590156 BBB+ HIA+ Caco2+
DB01111 mol2, pdbqt 734,46 -4,174 1639,93 -21,816 44 23 3 -5,2594 0,213034859386003 BBB- HIA- Caco2-
DB01112 mol2, pdbqt 199,06 -2,563 424,389 -0,7728 12 3 1 14,406 0,492320641720859 BBB- HIA+ Caco2-
DB01113 mol2, pdbqt 49,81 -4,234 339,39 3,443 5 0 0 -1,7454 0,413108079946521 BBB+ HIA+ Caco2+
DB01114 mol2, pdbqt 16,13 -2,626 274,794 3,3537 2 0 0 3,5795 0,840838315838493 BBB+ HIA+ Caco2+
DB01115 mol2, pdbqt 110,45 -3,232 346,338 1,5541 8 1 0 -1,5582 0,499172637324749 BBB- HIA+ Caco2+
DB01116 mol2, pdbqt 23,55 -4,82 365,52 2,9527 3 0 0 2,1474 0,632894502661777 BBB+ HIA+ Caco2-
DB01117 mol2, pdbqt 54,37 -6,192 366,843 5,0743 3 1 1 -0,26793 0,299724528570891 BBB+ HIA+ Caco2+
DB01118 mol2, pdbqt 42,68 -8,015 645,309 6,2801 4 0 2 2,3438 0,105003693528266 BBB+ HIA+ Caco2+
Page 
 of 344
Records 941 to 960 of 6870
These data are only available for scientific research purposes.