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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
111714 BDB-kin115689.mol2, BDB-kin115689.pdbqt 354,99 97,03 -4,592 432,57 3,233 7 2 0 -2,5012 0,337596630547004
111715 BDB-kin115690.mol2, BDB-kin115690.pdbqt 337,97 97,03 -3,966 406,532 3,016 7 2 0 1,6752 0,659565178339671
111716 BDB-kin115691.mol2, BDB-kin115691.pdbqt 297,25 100,27 -2,572 365,44 1,6826 8 2 0 2,507 0,831898697178018
111717 BDB-kin115692.mol2, BDB-kin115692.pdbqt 332,05 101,13 -2,792 413,484 2,4505 8 1 0 2,7654 0,772695320510159
111718 BDB-kin115693.mol2, BDB-kin115693.pdbqt 309 112,03 -2,811 375,435 1,6536 8 1 0 -4,5506 0,42841562464513
111719 BDB-kin115694.mol2, BDB-kin115694.pdbqt 300,05 88,24 -2,909 376,463 2,2717 7 1 0 3,8651 0,822743241723368
111720 BDB-kin115695.mol2, BDB-kin115695.pdbqt 333,29 88,24 -3,563 412,496 3,3974 7 1 0 2,7654 0,699539833465809
111721 BDB-kin115696.mol2, BDB-kin115696.pdbqt 295,79 97,47 -2,708 366,424 2,1568 8 1 0 -1,6016 0,496361217714091
111722 BDB-kin115697.mol2, BDB-kin115697.pdbqt 322,98 101,38 -3,245 402,457 2,5861 8 1 0 2,6676 0,757688742999644
111723 BDB-kin115698.mol2, BDB-kin115698.pdbqt 300,05 88,24 -3,02 376,463 2,1981 7 1 0 2,7983 0,804264246384944
111724 BDB-kin115699.mol2, BDB-kin115699.pdbqt 307,98 114,27 -2,525 389,418 1,4461 9 1 0 3,7164 0,838384825161343
111725 BDB-kin115700.mol2, BDB-kin115700.pdbqt 321,48 101,38 -3,454 402,457 2,5684 8 1 0 1,7217 0,713182707711851
111726 BDB-kin115701.mol2, BDB-kin115701.pdbqt 337,74 88,24 -3,626 418,543 3,2872 7 1 0 1,365 0,64391412807868
111727 BDB-kin115702.mol2, BDB-kin115702.pdbqt 361,5 97,47 -3,247 448,569 2,7884 8 1 0 1,1317 0,637647139261064
111728 BDB-kin115703.mol2, BDB-kin115703.pdbqt 349,2 100,27 -3,805 433,558 3,0162 8 2 0 1,7135 0,647866927281213
111729 BDB-kin115704.mol2, BDB-kin115704.pdbqt 274,44 53,94 -3,482 321,427 3,2758 5 1 0 -2,9575 0,418227267026461
111730 BDB-kin115705.mol2, BDB-kin115705.pdbqt 290,24 80,82 -3,443 356,432 2,3855 6 1 0 -1,9824 0,456845677273985
111731 BDB-kin115706.mol2, BDB-kin115706.pdbqt 311,19 67,93 -4,731 375,518 4,2851 5 1 0 -3,2966 0,307969582139871
111732 BDB-kin115707.mol2, BDB-kin115707.pdbqt 260,93 97,03 -2,455 322,371 1,0778 7 2 0 0,36637 0,718669644259768
111733 BDB-kin115708.mol2, BDB-kin115708.pdbqt 292,8 71,17 -2,789 350,468 2,6625 6 1 0 0,91454 0,723271973920039
These data are only available for scientific research purposes.