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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
111734 BDB-kin115709.mol2, BDB-kin115709.pdbqt 279,91 77,16 -3,302 349,437 2,4371 6 1 0 1,0345 0,718479997080547
111735 BDB-kin115710.mol2, BDB-kin115710.pdbqt 314,22 107,87 -0,909 390,45 1,2431 9 1 0 -0,7925 0,574933076175451
111736 BDB-kin115711.mol2, BDB-kin115711.pdbqt 345,14 83,64 -1,601 421,547 1,5657 8 1 0 0,85597 0,708456318743274
111737 BDB-kin115712.mol2, BDB-kin115712.pdbqt 332,38 74,41 -2,298 405,548 2,398 7 1 0 5,337 0,819317281916601
111738 BDB-kin115713.mol2, BDB-kin115713.pdbqt 289 93,71 -3,234 357,42 1,8232 7 1 0 -1,9824 0,470233361710673
111739 BDB-kin115714.mol2, BDB-kin115714.pdbqt 319,82 80,4 -2,796 392,505 2,2886 7 1 0 -2,9864 0,43039378931967
111740 BDB-kin115715.mol2, BDB-kin115715.pdbqt 272,03 88,24 -2,093 336,398 1,3307 7 1 0 1,4761 0,81880296516371
111741 BDB-kin115716.mol2, BDB-kin115716.pdbqt 335,6 125,72 -2,65 429,547 1,2669 9 2 0 1,6 0,735845242837467
111742 BDB-kin115717.mol2, BDB-kin115717.pdbqt 337,9 113,69 -2,499 428,559 1,4341 8 1 0 -1,3844 0,484647385031714
111743 BDB-kin115718.mol2, BDB-kin115718.pdbqt 335,37 100,71 -2,277 421,503 1,9181 9 1 0 0,86926 0,694605584454425
111744 BDB-kin115719.mol2, BDB-kin115719.pdbqt 291,48 67,93 -4,214 355,444 3,3324 5 1 0 -1,9824 0,402629752803803
111745 BDB-kin115720.mol2, BDB-kin115720.pdbqt 336 86,39 -4,25 415,496 3,1924 7 1 0 -2,067 0,376283169104655
111746 BDB-kin115721.mol2, BDB-kin115721.pdbqt 345 71,17 -4,734 452,483 4,2404 6 1 0 -6,6264 0,270048673750498
111747 BDB-kin115722.mol2, BDB-kin115722.pdbqt 300,65 91,4 -2,282 366,467 1,7358 7 2 0 0,5205 0,255259423298634
111748 BDB-kin115723.mol2, BDB-kin115723.pdbqt 314,3 84,06 -3,686 385,474 2,7426 7 1 0 0,56362 0,626881738236786
111749 BDB-kin115724.mol2, BDB-kin115724.pdbqt 314,3 84,06 -3,161 385,474 2,3912 7 1 0 0,56362 0,662010564164901
111750 BDB-kin115725.mol2, BDB-kin115725.pdbqt 314,3 84,06 -3,161 385,474 2,3912 7 1 0 0,56362 0,662010564164901
111751 BDB-kin115726.mol2, BDB-kin115726.pdbqt 315,54 71,17 -3,956 384,486 3,3921 6 1 0 0,56362 0,587379304713204
111752 BDB-kin115727.mol2, BDB-kin115727.pdbqt 313,06 96,95 -3,223 386,462 2,1984 8 1 0 0,56362 0,662506450102518
111753 BDB-kin115728.mol2, BDB-kin115728.pdbqt 292,3 80,4 -2,256 364,452 1,6046 7 1 0 0,2425 0,683175758712804
These data are only available for scientific research purposes.