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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50194891 BDB-cJNK50194891.mol2, BDB-cJNK50194891.pdbqt 310 186,81 -3,688 419,461 -1,3595 10 5 0 -2,0697 0,428195287325918
15940 BDB-cJNK15940.mol2, BDB-cJNK15940.pdbqt 304,15 119,49 -5,385 435,277 2,5869 8 2 0 -6,4633 0,284188362082958
102575 BDB-cJNK102575.mol2, BDB-cJNK102575.pdbqt 386,81 146,86 -5,249 526,664 2,1593 11 3 2 7,5921 0,496547454440314
50338282 BDB-cJNK50338282.mol2, BDB-cJNK50338282.pdbqt 266,27 103,95 -4,062 358,417 2,4925 6 1 0 1,778 0,707904824069628
100612 BDB-cJNK100612.mol2, BDB-cJNK100612.pdbqt 311,15 58,12 -7,884 430,869 5,0214 5 1 1 1,3742 0,300002341840906
100598 BDB-cJNK100598.mol2, BDB-cJNK100598.pdbqt 365,62 104,39 -6,673 520,466 4,1142 8 2 1 -5,5159 0,107154973602219
50364381 BDB-cJNK50364381.mol2, BDB-cJNK50364381.pdbqt 354,36 96,76 -6,338 487,528 4,4163 8 3 0 3,2899 0,374258539136415
50373207 BDB-cJNK50373207.mol2, BDB-cJNK50373207.pdbqt 324,91 55,84 -5,434 478,341 4,7849 5 0 0 -0,57136 0,172825170522798
50293532 BDB-cJNK50293532.mol2, BDB-cJNK50293532.pdbqt 374,23 95,83 -9,443 519,501 5,3948 6 4 2 -6,7902 0,127997844891021
50194858 BDB-cJNK50194858.mol2, BDB-cJNK50194858.pdbqt 310,44 119,76 -4,741 399,47 1,2935 7 2 0 1,9588 0,641552596221398
100497 BDB-cJNK100497.mol2, BDB-cJNK100497.pdbqt 334,95 67,87 -6,529 448,905 4,4673 6 1 0 3,6965 0,390990030266509
50402834 BDB-cJNK50402834.mol2, BDB-cJNK50402834.pdbqt 375,32 108,83 -6,144 525,482 3,9076 8 2 1 -5,5934 0,116390715157359
50089238 BDB-cJNK50089238.mol2, BDB-cJNK50089238.pdbqt 235,37 84,14 -4,169 301,393 1,1815 6 2 0 -2,6164 0,42922937079355
50194908 BDB-cJNK50194908.mol2, BDB-cJNK50194908.pdbqt 301,52 162,56 -5,117 412,493 1,2645 7 2 0 -0,57171 0,430450073150702
50352606 BDB-cJNK50352606.mol2, BDB-cJNK50352606.pdbqt 297,02 111,8 -6,458 437,832 3,9624 6 2 0 -3,5976 0,133528879264803
50172919 BDB-cJNK50172919.mol2, BDB-cJNK50172919.pdbqt 268,86 83,8 -5,871 362,819 3,844 5 3 0 1,9131 0,49025257172865
100523 BDB-cJNK100523.mol2, BDB-cJNK100523.pdbqt 385,2 89,01 -5,621 518,015 3,2158 8 2 1 8,136 0,4527752014927
16011 BDB-cJNK16011.mol2, BDB-cJNK16011.pdbqt 243,67 87,14 -4,891 324,314 3,1232 6 3 0 -2,2095 0,370505127201342
50402830 BDB-cJNK50402830.mol2, BDB-cJNK50402830.pdbqt 353,08 102,02 -6,763 516,495 3,9912 7 0 1 -5,1775 0,10867209966926
100467 BDB-cJNK100467.mol2, BDB-cJNK100467.pdbqt 434,12 134,32 -6,612 594,134 4,5578 9 2 1 7,3047 0,291727862095628
These data are only available for scientific research purposes.