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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50446115 50446115.mol2, BDB-kin50446115.pdbqt 291,92 109,68 -5,152 405,861 2,8699 7 2 0 4,7308 0,60503278464215
50446116 50446116.mol2, BDB-kin50446116.pdbqt 291,92 109,68 -5,152 405,861 2,8699 7 2 0 3,7937 0,60099949000126
50446117 50446117.mol2, BDB-kin50446117.pdbqt 276,5 109,68 -4,416 371,416 2,2639 7 2 0 4,4802 0,721849876087976
50446118 50446118.mol2, BDB-kin50446118.pdbqt 321,1 109,68 -7,223 454,333 3,7097 7 2 0 0,14448 0,307171330567753
50446119 50446119.mol2, BDB-kin50446119.pdbqt 296,51 84,23 -6,067 404,252 4,3243 6 2 0 0,87833 0,313495273978213
50446120 50446120.mol2, BDB-kin50446120.pdbqt 318,44 100,89 -5,998 454,333 3,3811 7 1 0 5,0449 0,47403527192149
50446121 50446121.mol2, BDB-kin50446121.pdbqt 318,17 135,13 -7,079 476,36 2,8632 8 2 0 -0,33463 0,292793491349705
50446122 50446122.mol2, BDB-kin50446122.pdbqt 307,34 109,68 -5,739 440,306 3,1872 7 2 0 3,3222 0,505292188391347
50446123 50446123.mol2, BDB-kin50446123.pdbqt 303,35 92,61 -5,906 426,323 3,8255 6 2 0 3,3173 0,476425384565072
50446124 50446124.mol2, BDB-kin50446124.pdbqt 318,44 100,89 -5,864 454,333 3,7253 7 1 0 4,2554 0,281027592948172
50446125 50446125.mol2, BDB-kin50446125.pdbqt 291,21 125,36 -5,824 411,268 4,0036 7 2 0 2,8912 0,383346430303654
50446126 50446126.mol2, BDB-kin50446126.pdbqt 275,1 109,68 -5,299 392,262 2,1025 7 2 0 0,026513 0,46668152328767
50446127 50446127.mol2, BDB-kin50446127.pdbqt 300,46 100,89 -5,519 432,327 3,1514 7 1 0 4,8424 0,539366690126453
50446128 50446128.mol2, BDB-kin50446128.pdbqt 307,34 109,68 -5,888 440,306 3,4759 7 2 0 -2,3654 0,160114399696449
50446129 50446129.mol2, BDB-kin50446129.pdbqt 307,34 109,68 -5,888 440,306 3,4759 7 2 0 4,2922 0,488202735529165
50446147 50446147.mol2, BDB-kin50446147.pdbqt 250,04 104,75 -3,254 326,403 1,0661 7 2 0 4,5944 0,861739929386865
50446148 50446148.mol2, BDB-kin50446148.pdbqt 246,3 130,77 -3,973 327,391 0,5249 8 3 0 4,1065 0,485022199269974
50446149 50446149.mol2, BDB-kin50446149.pdbqt 239,51 100,07 -5,279 312,372 1,9498 6 2 0 1,127 0,584415532001646
50446150 50446150.mol2, BDB-kin50446150.pdbqt 241,23 119,27 -4,67 328,375 0,3503 8 3 0 3,1391 0,727204604493886
50446151 50446151.mol2, BDB-kin50446151.pdbqt 272,34 109,05 -4,468 353,425 1,8436 7 2 0 1,9343 0,692982261921669
These data are only available for scientific research purposes.