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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50402844 BDB-cJNK50402844.mol2, BDB-cJNK50402844.pdbqt 249,14 40,62 -5,46 328,37 4,3578 4 0 0 2,9063 0,527461713588669
15895 BDB-cJNK15895.mol2, BDB-cJNK15895.pdbqt 205,6 84,38 -5,047 292,725 1,0233 6 2 0 3,5123 0,335384306251051
50102615 BDB-cJNK50102615.mol2, BDB-cJNK50102615.pdbqt 230,43 57,78 -3,633 295,316 2,3151 4 2 0 3,6896 0,82522560529953
50102620 BDB-cJNK50102620.mol2, BDB-cJNK50102620.pdbqt 249,11 125,26 -4,589 335,39 2,2876 6 3 0 2,4307 0,5592329863003
50363459 BDB-cJNK50363459.mol2, BDB-cJNK50363459.pdbqt 332,19 76,89 -6,177 432,502 5,7861 7 2 1 -4,7317 0,138457367247808
50342316 BDB-cJNK50342316.mol2, BDB-cJNK50342316.pdbqt 216,83 100,43 -4,066 339,212 2,5917 4 2 0 1,5461 0,703541936635947
50342317 BDB-cJNK50342317.mol2, BDB-cJNK50342317.pdbqt 221,87 146,25 -3,692 305,313 0,9449 7 2 0 -1,6999 0,488875536788729
50194888 BDB-cJNK50194888.mol2, BDB-cJNK50194888.pdbqt 333,82 119,76 -5,024 431,555 2,9111 7 2 0 -0,55458 0,408101067462554
15937 BDB-cJNK15937.mol2, BDB-cJNK15937.pdbqt 278,26 101,03 -6,183 454,121 3,4521 6 2 0 -6,58 0,230392964816885
50310147 BDB-cJNK50310147.mol2, BDB-cJNK50310147.pdbqt 224,58 178,3 -4,401 317,417 2,2782 7 1 0 -1,5541 0,444688814857138
50102632 BDB-cJNK50102632.mol2, BDB-cJNK50102632.pdbqt 232,09 57,78 -4,553 315,734 3,2117 4 2 0 3,368 0,698565256227106
50342318 BDB-cJNK50342318.mol2, BDB-cJNK50342318.pdbqt 242,72 118,89 -3,268 320,368 1,7265 6 2 0 3,3977 0,846900349320866
27784 BDB-cJNK27784.mol2, BDB-cJNK27784.pdbqt 391,43 124,43 -6,638 518,595 3,8625 10 4 1 3,9342 0,365369843427355
27792 BDB-cJNK27792.mol2, BDB-cJNK27792.pdbqt 370,06 150,29 -5,82 492,514 2,3157 11 5 1 2,5511 0,463702660473105
27800 BDB-cJNK27800.mol2, BDB-cJNK27800.pdbqt 396,68 141,5 -6,445 532,578 3,1088 11 4 2 5,0837 0,249099856391625
50422609 BDB-cJNK50422609.mol2, BDB-cJNK50422609.pdbqt 261,17 38,33 -5,977 337,805 4,5181 3 1 0 1,3028 0,431393808906448
50032753 BDB-cJNK50032753.mol2, BDB-cJNK50032753.pdbqt 326,02 105,87 -4,919 435,874 2,137 9 3 0 5,1765 0,496617236431931
50008705 BDB-cJNK50008705.mol2, BDB-cJNK50008705.pdbqt 244,51 51,22 -4,971 304,348 3,2626 4 1 0 1,2342 0,591657307502134
50059889 BDB-cJNK50059889.mol2, BDB-cJNK50059889.pdbqt 322,44 69,45 -6,769 466,539 4,4396 7 2 0 4,7259 0,373119598622656
32495 BDB-cJNK32495.mol2, BDB-cJNK32495.pdbqt 333,97 63,94 -5,567 432,518 4,196 6 1 0 -0,29144 0,208604881737376
These data are only available for scientific research purposes.