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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50342335 BDB-cJNK50342335.mol2, BDB-cJNK50342335.pdbqt 210,9 100,43 -3,86 296,296 2,0681 4 2 0 1,9961 0,773222258485376
26060 BDB-cJNK26060.mol2, BDB-cJNK26060.pdbqt 226,81 147,33 -3,563 319,368 1,9114 7 1 0 1,9432 0,786333413571924
50342336 BDB-cJNK50342336.mol2, BDB-cJNK50342336.pdbqt 227,66 100,43 -4,01 328,313 2,7148 4 2 0 -3,8539 0,397085206398338
50342337 BDB-cJNK50342337.mol2, BDB-cJNK50342337.pdbqt 263,79 120,05 -1,794 348,426 0,4033 7 2 0 7,9785 0,907395879402988
15901 BDB-cJNK15901.mol2, BDB-cJNK15901.pdbqt 237,09 84,66 -5,227 335,746 1,7461 7 1 0 -0,95337 0,204008256343499
15903 BDB-cJNK15903.mol2, BDB-cJNK15903.pdbqt 203,43 78,59 -4,817 293,709 1,2615 6 2 0 4,2617 0,349965341125702
86626 BDB-cJNK86626.mol2, BDB-cJNK86626.pdbqt 406,04 112,14 -5,077 507,596 3,8908 9 3 1 1,7132 0,442452853226331
50032747 BDB-cJNK50032747.mol2, BDB-cJNK50032747.pdbqt 350,58 100,94 -5,016 460,924 2,8297 8 3 0 5,0375 0,457013463613245
27816 BDB-cJNK27816.mol2, BDB-cJNK27816.pdbqt 410,44 141,5 -6,685 546,605 3,4989 11 4 2 3,7289 0,283304706682221
27813 BDB-cJNK27813.mol2, BDB-cJNK27813.pdbqt 360,36 138,26 -7,292 489,51 3,751 10 4 0 1,3664 0,266945466938922
50102628 BDB-cJNK50102628.mol2, BDB-cJNK50102628.pdbqt 232,58 67,01 -3,521 293,325 2,4349 5 2 0 4,6495 0,837033940154638
50342338 BDB-cJNK50342338.mol2, BDB-cJNK50342338.pdbqt 196,96 113,32 -2,437 261,304 0,8656 5 2 0 3,3361 0,914832496707752
50342339 BDB-cJNK50342339.mol2, BDB-cJNK50342339.pdbqt 210,9 100,43 -3,86 296,296 2,0681 4 2 0 1,9961 0,773222258485376
50342340 BDB-cJNK50342340.mol2, BDB-cJNK50342340.pdbqt 204,55 100,43 -3,546 278,306 1,9673 4 2 0 1,9961 0,804424595777838
15902 BDB-cJNK15902.mol2, BDB-cJNK15902.pdbqt 224,79 87,46 -4,791 320,735 0,8656 7 2 0 5,8049 0,349775296249873
50373196 BDB-cJNK50373196.mol2, BDB-cJNK50373196.pdbqt 308,12 83,91 -4,595 413,428 3,6148 6 1 0 1,1717 0,331071838847917
15965 BDB-cJNK15965.mol2, BDB-cJNK15965.pdbqt 214,75 117,1 -3,92 264,352 1,8525 5 2 0 -5,6448 0,417156107615135
50102623 BDB-cJNK50102623.mol2, BDB-cJNK50102623.pdbqt 209,08 70,67 -3,233 264,287 1,8554 5 2 0 4,6754 0,878490488410876
50102612 BDB-cJNK50102612.mol2, BDB-cJNK50102612.pdbqt 224,08 57,78 -3,319 277,326 2,2143 4 2 0 5,0296 0,86301551672544
50310143 BDB-cJNK50310143.mol2, BDB-cJNK50310143.pdbqt 269,58 187,53 -4,794 381,46 2,4063 8 1 0 -2,7256 0,358760327976376
These data are only available for scientific research purposes.