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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
100575 BDB-cJNK100575.mol2, BDB-cJNK100575.pdbqt 350,91 84,94 -6,37 476,915 4,358 7 1 0 1,6922 0,360009486015874
50352612 BDB-cJNK50352612.mol2, BDB-cJNK50352612.pdbqt 266,42 137,04 -4,628 420,25 0,7443 9 2 0 0,38768 0,543140445297368
32472 BDB-cJNK32472.mol2, BDB-cJNK32472.pdbqt 300,45 48,72 -4,299 458,277 4,1203 5 1 0 -5,7898 0,289663480728539
32473 BDB-cJNK32473.mol2, BDB-cJNK32473.pdbqt 330,75 48,72 -5,607 466,378 4,9312 5 1 0 1,4002 0,369770974183513
32474 BDB-cJNK32474.mol2, BDB-cJNK32474.pdbqt 342,21 60,75 -5,099 481,393 4,8024 6 2 0 1,4002 0,400472043260485
32498 BDB-cJNK32498.mol2, BDB-cJNK32498.pdbqt 331,67 75,97 -5,935 433,506 4,2079 7 2 0 -0,1165 0,161352589300928
92527 BDB-cJNK92527.mol2, BDB-cJNK92527.pdbqt 371,64 104,18 -5,212 489,966 2,9627 9 3 0 5,394 0,416377420081228
92528 BDB-cJNK92528.mol2, BDB-cJNK92528.pdbqt 398,66 113,41 -5,279 532,002 2,7353 10 3 1 5,1496 0,382050941250593
92529 BDB-cJNK92529.mol2, BDB-cJNK92529.pdbqt 352,24 100,52 -3,218 448,525 1,4213 9 3 0 6,3109 0,754358558719326
50342348 BDB-cJNK50342348.mol2, BDB-cJNK50342348.pdbqt 219,91 124,22 -4,005 285,326 1,7021 5 2 0 -0,94395 0,524579579434955
50358527 BDB-cJNK50358527.mol2, BDB-cJNK50358527.pdbqt 276,95 86,47 -6,064 369,807 3,5594 6 2 0 0,12443 0,190672286162942
50352611 BDB-cJNK50352611.mol2, BDB-cJNK50352611.pdbqt 306,68 132,11 -5,672 499,27 2,1653 8 2 0 -8,0979 0,244355407697614
50376122 BDB-cJNK50376122.mol2, BDB-cJNK50376122.pdbqt 372,03 140,81 -4,434 527 1,2375 9 1 1 7,9104 0,34476476371565
102569 BDB-cJNK102569.mol2, BDB-cJNK102569.pdbqt 425,96 129,04 -6,004 580,752 3,6697 10 2 1 5,0554 0,216501477765259
102568 BDB-cJNK102568.mol2, BDB-cJNK102568.pdbqt 354,04 108,73 -5,892 483,635 3,6215 8 2 0 5,7139 0,448770605015083
50376118 BDB-cJNK50376118.mol2, BDB-cJNK50376118.pdbqt 346,39 84,3 -5,633 462,936 3,8032 7 1 0 6,9937 0,287282295111664
100439 BDB-cJNK100439.mol2, BDB-cJNK100439.pdbqt 397,45 100,8 -6,145 541,994 4,0524 9 1 1 3,9841 0,364199331629795
50352607 BDB-cJNK50352607.mol2, BDB-cJNK50352607.pdbqt 278,24 132,11 -4,735 433,289 1,4268 8 2 0 -0,75086 0,430910699078463
50338293 BDB-cJNK50338293.mol2, BDB-cJNK50338293.pdbqt 282,56 143,01 -5,445 378,415 1,4841 8 2 0 0,43615 0,498771657477579
50373200 BDB-cJNK50373200.mol2, BDB-cJNK50373200.pdbqt 383,48 113,01 -5,773 563,403 4,1911 8 2 1 -0,97893 0,140130273703143
These data are only available for scientific research purposes.