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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50032749 BDB-cJNK50032749.mol2, BDB-cJNK50032749.pdbqt 379,26 117,9 -4,185 504,981 2,3219 10 4 1 5,5989 0,485833380001299
50358516 BDB-cJNK50358516.mol2, BDB-cJNK50358516.pdbqt 299,57 77,24 -7,56 442,223 5,0837 5 2 1 -7,1775 4,75940928345563E-02
103907 BDB-cJNK103907.mol2, BDB-cJNK103907.pdbqt 332,75 84,3 -5,884 445,966 3,8924 5 1 0 -0,71705 0,311285182223783
50338278 BDB-cJNK50338278.mol2, BDB-cJNK50338278.pdbqt 248,37 99,43 -4,153 328,391 3,0755 5 2 0 0,67252 0,623966221725705
50172923 BDB-cJNK50172923.mol2, BDB-cJNK50172923.pdbqt 334,14 73,05 -5,21 433,942 3,8953 6 3 0 5,6326 0,534084250125772
50332041 BDB-cJNK50332041.mol2, BDB-cJNK50332041.pdbqt 211,94 83,64 -3,244 275,327 2,5848 4 1 0 1,1037 0,753162806194332
100622 BDB-cJNK100622.mol2, BDB-cJNK100622.pdbqt 395,07 99,77 -8,053 525,047 4,9559 8 3 1 -52,71 0,140684671488571
100615 BDB-cJNK100615.mol2, BDB-cJNK100615.pdbqt 301,98 73,47 -7,515 417,919 5,6179 4 1 1 3,1552 0,307083861812968
100495 BDB-cJNK100495.mol2, BDB-cJNK100495.pdbqt 350,67 80,12 -6,063 469,931 3,7267 7 1 0 0,92418 0,38154256320227
15984 BDB-cJNK15984.mol2, BDB-cJNK15984.pdbqt 257,66 84,34 -4,643 327,383 3,5132 6 2 0 -5,1903 0,342182946639109
15983 BDB-cJNK15983.mol2, BDB-cJNK15983.pdbqt 226,88 84,34 -3,747 287,318 2,8418 6 2 0 -1,0141 0,514332215197678
50333980 BDB-cJNK50333980.mol2, BDB-cJNK50333980.pdbqt 365,74 73,72 -7,248 476,582 4,9541 7 1 0 -0,89122 0,10066171322475
16009 BDB-cJNK16009.mol2, BDB-cJNK16009.pdbqt 271,92 87,14 -6,183 356,384 4,2168 6 3 0 -0,86954 0,149551787531514
50332088 BDB-cJNK50332088.mol2, BDB-cJNK50332088.pdbqt 250,9 124,69 -3,834 336,378 1,4695 7 2 0 3,3161 0,800933297898363
100542 BDB-cJNK100542.mol2, BDB-cJNK100542.pdbqt 352,7 90,98 -6,785 490,349 3,8562 7 2 0 5,6343 0,383654390260355
50333990 BDB-cJNK50333990.mol2, BDB-cJNK50333990.pdbqt 297,21 78,85 -6,65 405,432 3,456 7 2 0 -1,0608 0,140321244702708
50358515 BDB-cJNK50358515.mol2, BDB-cJNK50358515.pdbqt 306,41 86,47 -6,842 437,804 4,4077 6 2 0 -7,0656 9,41772596840503E-02
50333987 BDB-cJNK50333987.mol2, BDB-cJNK50333987.pdbqt 290,86 78,85 -6,336 387,442 3,3552 7 2 0 -3,2717 0,12391166131905
15896 BDB-cJNK15896.mol2, BDB-cJNK15896.pdbqt 252,31 87,46 -5,485 348,789 1,934 7 2 0 0,73523 0,252546626332687
50032818 BDB-cJNK50032818.mol2, BDB-cJNK50032818.pdbqt 376,1 109,11 -3,522 492,97 1,3351 10 3 0 7,9142 0,544939451303495
These data are only available for scientific research purposes.