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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50442150 50442150.mol2, BDB-kin50442150.pdbqt 351,43 120,43 -6,941 461,588 5,3006 7 3 1 0,69511 9,70830826327829E-02
50442151 50442151.mol2, BDB-kin50442151.pdbqt 367,13 120,43 -7,564 515,559 6,1631 7 3 2 -4,0649 4,41162582259114E-02
50442152 50442152.mol2, BDB-kin50442152.pdbqt 376,29 125,27 -7,549 524,57 5,7451 7 2 2 1,7355 0,140342408765493
50442153 50442153.mol2, BDB-kin50442153.pdbqt 383,79 111,2 -8,133 525,597 6,9541 6 3 2 -2,924 6,57135294316421E-02
50442154 50442154.mol2, BDB-kin50442154.pdbqt 390,44 92,19 -8,92 539,532 6,2776 7 3 2 -4,7501 6,49748040131223E-02
50442155 50442155.mol2, BDB-kin50442155.pdbqt 348,93 82,96 -7,915 479,505 5,9756 6 3 1 -4,7243 0,079095637844233
50442156 50442156.mol2, BDB-kin50442156.pdbqt 338,5 98,75 -7,178 468,482 4,9926 7 4 0 -3,2011 0,102740657238134
50442157 50442157.mol2, BDB-kin50442157.pdbqt 306,83 111,2 -6,057 395,53 4,5914 6 3 0 1,514 0,087943000905729
50442158 50442158.mol2, BDB-kin50442158.pdbqt 359,63 134,5 -6,98 514,531 4,9541 8 2 1 0,8902 9,49188015644053E-02
50442159 50442159.mol2, BDB-kin50442159.pdbqt 365,89 133,32 -8,021 516,547 5,71 8 3 2 -4,0649 7,69621381198368E-02
50442160 50442160.mol2, BDB-kin50442160.pdbqt 379,94 146,65 -5,277 509,589 2,2913 11 3 2 5,7795 0,305513186936404
50442161 50442161.mol2, BDB-kin50442161.pdbqt 307,22 112,82 -5,451 403,489 2,769 8 3 0 5,5062 0,348432695389669
50442162 50442162.mol2, BDB-kin50442162.pdbqt 325,28 89,93 -6,479 470,429 3,4734 7 1 0 -2,9863 0,134762250658578
50442163 50442163.mol2, BDB-kin50442163.pdbqt 309,54 94,86 -5,453 419,463 1,8726 8 1 0 5,1053 0,350588480827341
50442164 50442164.mol2, BDB-kin50442164.pdbqt 303,19 94,86 -5,139 401,473 1,7718 8 1 0 6,4453 0,380323002868203
50442165 50442165.mol2, BDB-kin50442165.pdbqt 318,93 89,93 -6,165 452,439 3,3726 7 1 0 -2,9863 0,146365447809419
50442166 50442166.mol2, BDB-kin50442166.pdbqt 308,08 89,93 -6,045 416,459 2,969 7 1 0 2,8075 0,299554128536139
50442167 50442167.mol2, BDB-kin50442167.pdbqt 301,73 89,93 -5,731 398,469 2,8682 7 1 0 4,1475 0,330869203837586
50442168 50442168.mol2, BDB-kin50442168.pdbqt 290,93 94,86 -4,771 387,446 1,3739 8 1 0 6,7815 0,330701463185575
50442169 50442169.mol2, BDB-kin50442169.pdbqt 290,93 94,86 -4,771 387,446 1,3739 8 1 0 6,1048 0,413150610576063
These data are only available for scientific research purposes.