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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50342324 BDB-cJNK50342324.mol2, BDB-cJNK50342324.pdbqt 210,46 100,43 -3,576 274,343 2,2104 4 2 0 3,3052 0,834408170120905
15936 BDB-cJNK15936.mol2, BDB-cJNK15936.pdbqt 265,52 101,03 -5,203 324,383 2,6895 6 2 0 -4,79 0,329951356703344
15900 BDB-cJNK15900.mol2, BDB-cJNK15900.pdbqt 207,42 95,66 -4,799 307,692 0,9119 7 2 0 0,46694 0,284388870600471
50032822 BDB-cJNK50032822.mol2, BDB-cJNK50032822.pdbqt 355,9 91,29 -4,143 454,96 2,527 8 3 0 10,229 0,400429618014642
32480 BDB-cJNK32480.mol2, BDB-cJNK32480.pdbqt 267,66 51,37 -3,026 344,845 2,6432 5 2 0 4,6733 0,834106167560704
50333988 BDB-cJNK50333988.mol2, BDB-cJNK50333988.pdbqt 355,2 82,09 -6,38 470,575 3,6211 8 2 0 0,4093 0,164702954876727
50032746 BDB-cJNK50032746.mol2, BDB-cJNK50032746.pdbqt 349,08 100,94 -5,568 460,924 3,5182 8 3 0 4,6748 0,397297135858042
15878 BDB-cJNK15878.mol2, BDB-cJNK15878.pdbqt 197,73 47,36 -5,323 277,71 2,1355 5 0 0 4,6316 0,153257031290038
50333984 BDB-cJNK50333984.mol2, BDB-cJNK50333984.pdbqt 271,09 86,69 -6,449 371,399 3,3383 7 2 0 5,8262 0,239360358865115
50032823 BDB-cJNK50032823.mol2, BDB-cJNK50032823.pdbqt 359,16 91,29 -4,499 466,971 2,9598 8 3 0 6,4194 0,488325097153063
15958 BDB-cJNK15958.mol2, BDB-cJNK15958.pdbqt 205,34 138,33 -3,125 264,24 -0,4325 8 3 0 -5,7001 0,36341224261729
50310148 BDB-cJNK50310148.mol2, BDB-cJNK50310148.pdbqt 223,58 187,53 -3,374 319,389 0,9657 8 1 0 -2,6925 0,458917697402692
50342325 BDB-cJNK50342325.mol2, BDB-cJNK50342325.pdbqt 238,57 118,89 -4,251 336,342 1,4622 6 2 0 1,8295 0,722994505158017
50334010 BDB-cJNK50334010.mol2, BDB-cJNK50334010.pdbqt 311,34 69,62 -7,045 407,476 4,6683 6 2 0 4,5656 0,184436071673944
50333995 BDB-cJNK50333995.mol2, BDB-cJNK50333995.pdbqt 380,06 73,3 -6,318 498,629 4,2803 8 1 0 5,1104 0,182264687340632
27817 BDB-cJNK27817.mol2, BDB-cJNK27817.pdbqt 398,12 127,51 -6,061 532,578 3,054 11 4 2 4,3859 0,328784126462108
27788 BDB-cJNK27788.mol2, BDB-cJNK27788.pdbqt 368,37 121,19 -6,251 477,542 3,8259 9 4 0 1,3959 0,380462102864338
50422614 BDB-cJNK50422614.mol2, BDB-cJNK50422614.pdbqt 274,87 75,96 -6,707 364,835 3,6109 5 3 0 1,8443 0,266330591334888
50032748 BDB-cJNK50032748.mol2, BDB-cJNK50032748.pdbqt 350,78 105,87 -4,314 463,928 2,529 9 3 0 5,2508 0,512824286900453
50089239 BDB-cJNK50089239.mol2, BDB-cJNK50089239.pdbqt 247,69 95,42 -3,771 318,376 1,4921 7 2 0 -3,9155 0,422867434947231
These data are only available for scientific research purposes.