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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50253153 BDB-cJNK50253153.mol2, BDB-cJNK50253153.pdbqt 292,89 54,88 -6,953 379,462 4,746 4 1 0 2,0705 0,37522115051558
50253152 BDB-cJNK50253152.mol2, BDB-cJNK50253152.pdbqt 297,35 64,11 -7,136 415,414 4,5271 5 1 0 -6,5586 0,193919302971049
50252782 BDB-cJNK50252782.mol2, BDB-cJNK50252782.pdbqt 297,35 64,11 -7,136 415,414 4,5271 5 1 0 -6,5586 0,193919302971049
50252781 BDB-cJNK50252781.mol2, BDB-cJNK50252781.pdbqt 280,15 64,11 -6,396 361,444 4,0428 5 1 0 1,6355 0,436238813517266
50252780 BDB-cJNK50252780.mol2, BDB-cJNK50252780.pdbqt 282,71 67,35 -5,459 374,443 2,6723 6 1 0 3,3092 0,59204625243788
50252779 BDB-cJNK50252779.mol2, BDB-cJNK50252779.pdbqt 305,97 67,35 -6,181 402,496 3,3409 6 1 0 3,4148 0,49283211860066
50252778 BDB-cJNK50252778.mol2, BDB-cJNK50252778.pdbqt 294,97 67,35 -5,803 388,47 3,0162 6 1 0 3,2617 0,541035191847973
50252740 BDB-cJNK50252740.mol2, BDB-cJNK50252740.pdbqt 333,95 79,38 -5,25 431,538 2,663 7 2 0 4,3256 0,57848749566537
50135286 BDB-cJNK50135286.mol2, BDB-cJNK50135286.pdbqt 318,73 116,43 -6,482 467,455 2,6059 8 2 0 0,0085783 0,34039413931241
50296636 BDB-cJNK50296636.mol2, BDB-cJNK50296636.pdbqt 321,22 79,26 -5,499 451,888 2,7811 7 2 0 4,0287 0,532641212019465
50299081 BDB-cJNK50299081.mol2, BDB-cJNK50299081.pdbqt 254 62,56 -6,256 336,41 4,5588 3 0 0 -1,1639 0,102732257037519
50299083 BDB-cJNK50299083.mol2, BDB-cJNK50299083.pdbqt 267,76 62,56 -6,488 350,437 5,0558 3 0 1 -1,3919 8,81938408480698E-02
50172925 BDB-cJNK50172925.mol2, BDB-cJNK50172925.pdbqt 227,17 40,71 -5,046 285,349 4,1507 3 2 0 1,471 0,553389421982505
50310144 BDB-cJNK50310144.mol2, BDB-cJNK50310144.pdbqt 237,84 187,53 -4,138 345,427 1,358 8 1 0 -3,8133 0,400362894613991
50310343 BDB-cJNK50310343.mol2, BDB-cJNK50310343.pdbqt 316,42 88,73 -7,003 419,487 3,4965 6 3 0 3,9667 0,43439550226268
50196996 BDB-cJNK50196996.mol2, BDB-cJNK50196996.pdbqt 290,67 137,76 -4,288 389,431 1,1085 8 2 0 -1,4687 0,439451605446968
13533 BDB-cJNK13533.mol2, BDB-cJNK13533.pdbqt 414,82 80,65 -6,546 527,667 5,0942 8 2 2 1,6094 0,101515104355578
50183842 BDB-cJNK50183842.mol2, BDB-cJNK50183842.pdbqt 311,24 93,37 -5,413 429,882 2,9964 7 2 0 4,2605 0,554633526440381
50183836 BDB-cJNK50183836.mol2, BDB-cJNK50183836.pdbqt 297,48 93,37 -4,925 415,855 2,599 7 2 0 2,8916 0,614068281528836
50183864 BDB-cJNK50183864.mol2, BDB-cJNK50183864.pdbqt 325 93,37 -5,683 443,909 3,3384 7 2 0 1,308 0,456381879559568
These data are only available for scientific research purposes.