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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50134628 BDB-cJNK50134628.mol2, BDB-cJNK50134628.pdbqt 278,56 70,59 -3,679 375,378 1,4571 7 1 0 3,9378 0,793679273914273
50134624 BDB-cJNK50134624.mol2, BDB-cJNK50134624.pdbqt 293,59 78,79 -5,633 421,283 3,1016 7 1 0 5,4143 0,432174755740284
50134625 BDB-cJNK50134625.mol2, BDB-cJNK50134625.pdbqt 327,82 70,59 -6,496 449,46 4,1317 7 1 0 3,0496 0,146072870311618
50134626 BDB-cJNK50134626.mol2, BDB-cJNK50134626.pdbqt 307,35 78,79 -5,685 435,31 3,2963 7 1 0 1,394 0,374000547303252
50134627 BDB-cJNK50134627.mol2, BDB-cJNK50134627.pdbqt 289,21 78,79 -4,841 402,4 2,2859 7 1 0 1,6823 0,606099050392051
50332083 BDB-cJNK50332083.mol2, BDB-cJNK50332083.pdbqt 254,54 95,25 -3,253 327,407 2,9025 5 2 0 3,7933 0,817093935111623
50332081 BDB-cJNK50332081.mol2, BDB-cJNK50332081.pdbqt 254,17 84,39 -3,288 327,407 2,8019 5 1 0 4,8471 0,825073795654462
50332072 BDB-cJNK50332072.mol2, BDB-cJNK50332072.pdbqt 266,51 75,16 -5,165 347,441 3,8356 4 1 0 5,3182 0,358089420623849
50345616 BDB-cJNK50345616.mol2, BDB-cJNK50345616.pdbqt 238,84 98,63 -5,751 319,391 2,9997 5 2 0 1,8693 0,118736749696762
50342364 BDB-cJNK50342364.mol2, BDB-cJNK50342364.pdbqt 232,8 100,43 -4,838 310,376 3,0609 4 2 0 3,3361 0,676334810157767
50342363 BDB-cJNK50342363.mol2, BDB-cJNK50342363.pdbqt 273,69 109,66 -5,69 419,298 3,7161 5 2 0 1,6077 0,282033689470349
50342362 BDB-cJNK50342362.mol2, BDB-cJNK50342362.pdbqt 273,69 109,66 -5,69 419,298 3,7161 5 2 0 1,6077 0,282033689470349
50342361 BDB-cJNK50342361.mol2, BDB-cJNK50342361.pdbqt 245,06 100,43 -5,292 324,403 3,487 4 2 0 3,8205 0,364536956419052
50342360 BDB-cJNK50342360.mol2, BDB-cJNK50342360.pdbqt 245,06 100,43 -5,182 324,403 3,4048 4 2 0 3,5279 0,372539268313658
50348880 BDB-cJNK50348880.mol2, BDB-cJNK50348880.pdbqt 325,01 88,39 -6,839 425,491 3,3861 7 2 0 5,6799 0,444952015012923
50342373 BDB-cJNK50342373.mol2, BDB-cJNK50342373.pdbqt 242,72 118,89 -3,268 320,368 1,7265 6 2 0 3,3977 0,846900349320866
50342372 BDB-cJNK50342372.mol2, BDB-cJNK50342372.pdbqt 235,22 100,43 -4,103 302,397 3,0535 4 2 0 3,165 0,751970594422477
50342371 BDB-cJNK50342371.mol2, BDB-cJNK50342371.pdbqt 221,87 146,25 -3,692 305,313 0,9449 7 2 0 -1,6999 0,488875536788729
50342370 BDB-cJNK50342370.mol2, BDB-cJNK50342370.pdbqt 216,83 100,43 -4,066 339,212 2,5917 4 2 0 1,5461 0,703541936635947
50342369 BDB-cJNK50342369.mol2, BDB-cJNK50342369.pdbqt 221,13 129,11 -2,727 300,341 1,3556 6 3 0 3,5465 0,889245917000629
These data are only available for scientific research purposes.