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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50342326 BDB-cJNK50342326.mol2, BDB-cJNK50342326.pdbqt 204,55 100,43 -3,546 278,306 1,9673 4 2 0 1,9961 0,804424595777838
15872 BDB-cJNK15872.mol2, BDB-cJNK15872.pdbqt 214,44 58,36 -6,489 352,099 3,0426 5 1 0 -8,0688 0,123675330869458
50194887 BDB-cJNK50194887.mol2, BDB-cJNK50194887.pdbqt 329,12 148,86 -4,084 434,515 0,8815 9 3 0 2,0345 0,675697790920354
50172918 BDB-cJNK50172918.mol2, BDB-cJNK50172918.pdbqt 242,59 40,71 -5,782 319,794 4,7567 3 2 0 1,4889 0,441400706210745
50032751 BDB-cJNK50032751.mol2, BDB-cJNK50032751.pdbqt 324,78 118,76 -5,042 436,862 2,0314 10 3 0 6,2133 0,488002112257689
50342327 BDB-cJNK50342327.mol2, BDB-cJNK50342327.pdbqt 232,8 100,43 -4,838 310,376 3,0609 4 2 0 3,3361 0,40580088609466
50342328 BDB-cJNK50342328.mol2, BDB-cJNK50342328.pdbqt 210,46 100,43 -3,576 274,343 2,2104 4 2 0 3,3052 0,834408170120905
50314070 BDB-cJNK50314070.mol2, BDB-cJNK50314070.pdbqt 296,46 107,81 -4,46 406,388 1,5783 8 3 0 0,37792 0,561248899386695
15880 BDB-cJNK15880.mol2, BDB-cJNK15880.pdbqt 225,25 47,36 -5,893 305,764 2,9962 5 0 0 4,0733 0,132520525524608
50342329 BDB-cJNK50342329.mol2, BDB-cJNK50342329.pdbqt 220,46 109,66 -3,25 290,342 1,7965 5 2 0 3,3977 0,859826425430642
50342332 BDB-cJNK50342332.mol2, BDB-cJNK50342332.pdbqt 184,44 100,43 -3,267 246,289 1,8684 4 2 0 3,1563 0,866903596805581
50134595 BDB-cJNK50134595.mol2, BDB-cJNK50134595.pdbqt 270,26 67,35 -5,56 372,374 2,971 6 1 0 -0,51667 0,40184609793492
50342333 BDB-cJNK50342333.mol2, BDB-cJNK50342333.pdbqt 210,46 100,43 -3,576 274,343 2,2104 4 2 0 3,3052 0,834408170120905
50102616 BDB-cJNK50102616.mol2, BDB-cJNK50102616.pdbqt 246,34 67,01 -3,337 307,352 2,1443 5 2 0 5,017 0,852123770094263
50102622 BDB-cJNK50102622.mol2, BDB-cJNK50102622.pdbqt 177,08 57,78 -2,76 227,266 1,3259 4 2 0 5,4667 0,921009043351555
50102626 BDB-cJNK50102626.mol2, BDB-cJNK50102626.pdbqt 241,16 57,78 -4,975 332,189 3,7169 4 2 0 4,708 0,181164082526504
15947 BDB-cJNK15947.mol2, BDB-cJNK15947.pdbqt 246,24 113,06 -3,705 291,354 0,9019 7 3 0 -5,7563 0,341773642487623
32468 BDB-cJNK32468.mol2, BDB-cJNK32468.pdbqt 323,05 75,02 -5,132 484,777 4,6089 7 1 0 -30,142 0,226249198587899
50332052 BDB-cJNK50332052.mol2, BDB-cJNK50332052.pdbqt 201,94 74,41 -3,787 259,328 2,543 3 1 0 3,2728 0,81292427490908
50363451 BDB-cJNK50363451.mol2, BDB-cJNK50363451.pdbqt 248,67 67,66 -4,371 326,378 3,6307 6 2 0 -1,3521 0,422713741029628
These data are only available for scientific research purposes.