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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
116180 BDB-kin125318.mol2, BDB-kin125318.pdbqt 357,88 88,24 -3,86 472,979 3,8726 7 1 0 1,0642 0,531326828898693
116181 BDB-kin125319.mol2, BDB-kin125319.pdbqt 400,82 88,24 -5,136 535,477 5,1626 7 1 2 3,4938 0,367633085439252
116182 BDB-kin125320.mol2, BDB-kin125320.pdbqt 382,68 88,24 -4,292 502,567 4,1522 7 1 1 2,1467 0,501891047913415
116183 BDB-kin125321.mol2, BDB-kin125321.pdbqt 391,75 88,24 -4,714 519,022 4,6574 7 1 1 2,1538 0,425799941845855
116184 BDB-kin125322.mol2, BDB-kin125322.pdbqt 385,4 88,24 -4,4 501,032 4,5566 7 1 1 3,4938 0,488164909947428
116185 BDB-kin125323.mol2, BDB-kin125323.pdbqt 376,33 88,24 -3,978 484,577 4,0514 7 1 0 2,1467 0,546951411442378
116186 BDB-kin125324.mol2, BDB-kin125324.pdbqt 369,25 88,24 -3,977 476,529 3,8273 7 1 0 1,2215 0,532300704232469
116187 BDB-kin125325.mol2, BDB-kin125325.pdbqt 378,32 88,24 -4,399 492,984 4,3325 7 1 0 1,2467 0,461736931091157
116188 BDB-kin125326.mol2, BDB-kin125326.pdbqt 409,44 127,16 -3,788 529,003 3,5012 10 1 1 4,408 0,565298761304309
116189 BDB-kin125327.mol2, BDB-kin125327.pdbqt 371,97 88,24 -4,085 474,994 4,2317 7 1 0 2,5867 0,547909979642905
116190 BDB-kin125328.mol2, BDB-kin125328.pdbqt 371,97 88,24 -4,085 474,994 4,2317 7 1 0 2,5867 0,547909979642905
116191 BDB-kin125329.mol2, BDB-kin125329.pdbqt 411,03 117,7 -2,999 518,591 2,7889 9 2 1 -1,1589 0,319965370826026
116192 BDB-kin125330.mol2, BDB-kin125330.pdbqt 400,37 127,16 -3,366 512,548 2,996 10 1 1 3,0511 0,617368112070061
116193 BDB-kin125331.mol2, BDB-kin125331.pdbqt 362,9 88,24 -3,663 458,539 3,7265 7 1 0 1,2215 0,573491089636979
116194 BDB-kin125332.mol2, BDB-kin125332.pdbqt 362,9 88,24 -3,663 458,539 3,7265 7 1 0 1,2215 0,573491089636979
116195 BDB-kin125333.mol2, BDB-kin125333.pdbqt 394,68 108,47 -3,565 502,592 3,6213 8 2 1 1,1612 0,534206635681906
118949 BDB-kin125334.mol2, BDB-kin125334.pdbqt 256,47 77,83 -6,891 338,369 3,9971 5 1 0 -1,0686 0,138294295928353
118950 BDB-kin125335.mol2, BDB-kin125335.pdbqt 295,67 96,01 -7,008 396,473 4,7992 5 1 0 1,1113 0,121385921302692
118951 BDB-kin125336.mol2, BDB-kin125336.pdbqt 262,72 92,93 -6,742 354,436 4,4182 4 1 0 -0,42351 0,109668024712664
118952 BDB-kin125337.mol2, BDB-kin125337.pdbqt 256,47 77,83 -6,891 338,369 3,9971 5 1 0 -1,0686 0,103720721946265
These data are only available for scientific research purposes.