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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
111633 BDB-kin115609.mol2, BDB-kin115609.pdbqt 299,45 97,03 -3,373 364,452 2,1098 7 2 0 -1,7651 0,470095336702842
111634 BDB-kin115610.mol2, BDB-kin115610.pdbqt 299,45 97,03 -3,373 364,452 2,1098 7 2 0 1,1365 0,72064970732805
111635 BDB-kin115611.mol2, BDB-kin115611.pdbqt 289,91 86,39 -3,184 365,436 2,1049 7 1 0 -6,7003 0,415779803186794
111636 BDB-kin115612.mol2, BDB-kin115612.pdbqt 274,5 88,16 -3,208 337,426 2,3974 6 2 0 1,5429 0,76673581055894
111637 BDB-kin115613.mol2, BDB-kin115613.pdbqt 285,69 97,03 -3,214 350,425 1,6942 7 2 0 -1,5945 0,494877378112739
111638 BDB-kin115614.mol2, BDB-kin115614.pdbqt 285,69 97,03 -3,214 350,425 1,6942 7 2 0 1,3119 0,757010286552892
111639 BDB-kin115615.mol2, BDB-kin115615.pdbqt 276,15 86,39 -3,025 351,409 1,6893 7 1 0 -6,5258 0,428704319992183
111640 BDB-kin115616.mol2, BDB-kin115616.pdbqt 308,24 88,16 -4,07 385,47 3,2679 6 2 0 2,7302 0,691999473368309
111641 BDB-kin115617.mol2, BDB-kin115617.pdbqt 322 88,16 -4,184 399,497 3,4237 6 2 0 2,7302 0,664014958395638
111642 BDB-kin115618.mol2, BDB-kin115618.pdbqt 295,59 62,14 -3,188 350,464 3,4723 5 1 0 -1,9339 0,442948598524848
111643 BDB-kin115619.mol2, BDB-kin115619.pdbqt 278,09 88,16 -3,262 337,426 2,3329 6 2 0 -1,7504 0,481853403138661
111644 BDB-kin115620.mol2, BDB-kin115620.pdbqt 295,44 62,14 -3,715 390,408 3,6055 5 1 0 -8,4392 0,359122830544816
111645 BDB-kin115621.mol2, BDB-kin115621.pdbqt 277,94 88,16 -3,789 377,369 2,4661 6 2 0 -8,2698 0,386647741426901
111646 BDB-kin115622.mol2, BDB-kin115622.pdbqt 292 62,14 -3,245 350,464 3,5756 5 1 0 2,7801 0,754156277224702
111647 BDB-kin115623.mol2, BDB-kin115623.pdbqt 288,26 88,16 -3,478 351,453 2,8518 6 2 0 2,7124 0,775807126859982
111648 BDB-kin115624.mol2, BDB-kin115624.pdbqt 303 62,14 -3,405 364,491 3,7939 5 1 0 -0,59658 0,503833858160944
111649 BDB-kin115625.mol2, BDB-kin115625.pdbqt 274,5 88,16 -3,319 337,426 2,4362 6 2 0 2,7124 0,807343696529981
111650 BDB-kin115626.mol2, BDB-kin115626.pdbqt 317,76 86,39 -3,148 381,478 2,4348 7 1 0 -5,4489 0,407520591576332
111651 BDB-kin115627.mol2, BDB-kin115627.pdbqt 266,48 77,16 -3,068 323,399 2,1117 6 1 0 -0,23546 0,622060867375498
111652 BDB-kin115628.mol2, BDB-kin115628.pdbqt 294 77,16 -3,279 351,453 2,722 6 1 0 -0,31549 0,581318302682344
These data are only available for scientific research purposes.