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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50089244 BDB-cJNK50089244.mol2, BDB-cJNK50089244.pdbqt 225,81 70,15 -3,467 287,366 1,1239 6 2 0 0,445 0,699590975469675
15946 BDB-cJNK15946.mol2, BDB-cJNK15946.pdbqt 298,62 104,27 -4,183 347,461 2,4835 7 2 0 -3,6331 0,233516833970426
50363457 BDB-cJNK50363457.mol2, BDB-cJNK50363457.pdbqt 290,41 76,89 -5,366 378,41 4,1983 7 2 0 0,78989 0,364205471055823
50342322 BDB-cJNK50342322.mol2, BDB-cJNK50342322.pdbqt 198,2 100,43 -3,232 260,316 1,8665 4 2 0 3,3361 0,868365659481166
50342323 BDB-cJNK50342323.mol2, BDB-cJNK50342323.pdbqt 239,74 100,43 -4,324 314,408 3,0233 4 2 0 -1,9239 0,334998312380567
50032806 BDB-cJNK50032806.mol2, BDB-cJNK50032806.pdbqt 343,17 100,94 -5,514 464,887 3,2211 8 3 0 3,3348 0,401939972480767
50134596 BDB-cJNK50134596.mol2, BDB-cJNK50134596.pdbqt 346,67 90,82 -6,367 479,486 3,6216 8 2 0 5,0259 0,151541637718656
50333996 BDB-cJNK50333996.mol2, BDB-cJNK50333996.pdbqt 339,98 79,29 -6,246 457,532 3,4226 8 1 0 0,19548 0,168892822984051
50240093 BDB-cJNK50240093.mol2, BDB-cJNK50240093.pdbqt 231,51 67,14 -4,243 294,361 1,1448 6 2 0 3,2291 0,783923945057735
27785 BDB-cJNK27785.mol2, BDB-cJNK27785.pdbqt 403,69 124,43 -6,982 532,622 4,2064 10 4 1 3,9342 0,263122914969225
50333986 BDB-cJNK50333986.mol2, BDB-cJNK50333986.pdbqt 253,34 69,62 -6,415 343,389 3,4932 6 2 0 4,0161 0,241447382888104
27791 BDB-cJNK27791.mol2, BDB-cJNK27791.pdbqt 421,81 130,42 -7,866 568,051 5,2163 10 4 2 3,9824 0,246611651081226
50422617 BDB-cJNK50422617.mol2, BDB-cJNK50422617.pdbqt 282,19 60,45 -5,725 368,819 3,7986 5 1 0 1,3744 0,482024469752026
50422613 BDB-cJNK50422613.mol2, BDB-cJNK50422613.pdbqt 259,93 51,22 -5,707 338,793 3,8686 4 1 0 1,3028 0,488688449752816
15924 BDB-cJNK15924.mol2, BDB-cJNK15924.pdbqt 204,5 101,03 -3,81 248,285 1,2325 6 2 0 -4,8072 0,429999595261659
102588 BDB-cJNK102588.mol2, BDB-cJNK102588.pdbqt 325,75 66,29 -5,333 418,543 4,4455 7 1 0 1,0747 0,436599183067615
32453 BDB-cJNK32453.mol2, BDB-cJNK32453.pdbqt 249,27 57,51 -4,11 384,66 2,9499 5 2 0 1,792 0,673232810561069
15904 BDB-cJNK15904.mol2, BDB-cJNK15904.pdbqt 195,58 58,36 -5,324 277,71 2,1882 5 1 0 4,0694 0,317633066966773
50334002 BDB-cJNK50334002.mol2, BDB-cJNK50334002.pdbqt 309,49 78,85 -7,17 466,338 4,0804 7 2 0 -1,5108 0,107139496601771
50341372 BDB-cJNK50341372.mol2, BDB-cJNK50341372.pdbqt 253,24 67,35 -4,934 346,336 2,5229 6 1 0 2,686 0,657432369738335
These data are only available for scientific research purposes.