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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50342305 BDB-cJNK50342305.mol2, BDB-cJNK50342305.pdbqt 224,48 100,43 -4,248 386,208 2,3036 4 2 0 3,8079 0,722654906025626
50032825 BDB-cJNK50032825.mol2, BDB-cJNK50032825.pdbqt 304,02 100,08 -4,129 410,864 1,5788 8 4 0 5,8909 0,584649864627268
15977 BDB-cJNK15977.mol2, BDB-cJNK15977.pdbqt 229,64 84,34 -3,857 287,318 3,0779 6 2 0 -5,979 0,238582379058566
100500 BDB-cJNK100500.mol2, BDB-cJNK100500.pdbqt 303,13 49,41 -7,121 424,833 4,8089 4 1 0 2,3547 0,350630418123937
50404281 BDB-cJNK50404281.mol2, BDB-cJNK50404281.pdbqt 365,17 69,29 -6,409 472,63 6,0235 4 1 1 6,7998 0,298843585984669
50342306 BDB-cJNK50342306.mol2, BDB-cJNK50342306.pdbqt 234,22 109,66 -3,55 304,369 2,2028 5 2 0 1,9567 0,788595500101485
50342307 BDB-cJNK50342307.mol2, BDB-cJNK50342307.pdbqt 261,4 118,89 -4,42 366,824 2,7933 6 2 0 3,0984 0,698833597313111
50089227 BDB-cJNK50089227.mol2, BDB-cJNK50089227.pdbqt 268,68 108,04 -4,57 344,418 0,9604 8 4 0 1,2918 0,66265913057434
50194907 BDB-cJNK50194907.mol2, BDB-cJNK50194907.pdbqt 400,26 174,59 -6,426 531,66 2,1212 8 3 1 0,11854 0,312399760101993
27804 BDB-cJNK27804.mol2, BDB-cJNK27804.pdbqt 386,18 141,5 -6,561 530,562 3,1515 11 4 2 2,806 0,299483880413779
27793 BDB-cJNK27793.mol2, BDB-cJNK27793.pdbqt 382,32 150,29 -6,164 506,54 2,6596 11 5 2 2,5118 0,337283485802433
27798 BDB-cJNK27798.mol2, BDB-cJNK27798.pdbqt 371,82 150,29 -6,507 504,525 2,436 11 5 2 3,1226 0,331511263242658
100619 BDB-cJNK100619.mol2, BDB-cJNK100619.pdbqt 300,43 58,64 -6,967 404,852 4,8842 5 1 0 -9,1107 0,188625543247753
100629 BDB-cJNK100629.mol2, BDB-cJNK100629.pdbqt 348,68 87,74 -6,839 467,951 3,8691 7 2 0 1,2103 0,352407906989332
50089243 BDB-cJNK50089243.mol2, BDB-cJNK50089243.pdbqt 240,33 74,17 -4,916 313,404 2,2578 6 2 0 3,2931 0,689404034636926
50312057 BDB-cJNK50312057.mol2, BDB-cJNK50312057.pdbqt 382,56 62,53 -7,106 515,538 4,5904 6 1 1 -0,71253 0,214274241662942
50332046 BDB-cJNK50332046.mol2, BDB-cJNK50332046.pdbqt 241,4 83,64 -4,022 343,324 3,4331 4 1 0 -6,0863 0,369141583714614
50032755 BDB-cJNK50032755.mol2, BDB-cJNK50032755.pdbqt 326,02 105,87 -4,394 435,874 1,7856 9 3 0 5,4289 0,542628514549963
50271602 BDB-cJNK50271602.mol2, BDB-cJNK50271602.pdbqt 231,67 65,63 -3,499 293,373 1,957 5 3 0 2,1971 0,811148030611222
15960 BDB-cJNK15960.mol2, BDB-cJNK15960.pdbqt 207,26 101,03 -3,92 248,285 1,4686 6 2 0 -9,0425 0,25227479332213
These data are only available for scientific research purposes.