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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50443926 50443926.mol2, BDB-kin50443926.pdbqt 295,09 82,3 -7,903 416,823 5,3674 7 1 1 -0,92315 0,205945568579587
50443927 50443927.mol2, BDB-kin50443927.pdbqt 310,51 82,3 -8,639 451,268 5,9734 7 1 1 -0,92315 0,172261681115895
50443928 50443928.mol2, BDB-kin50443928.pdbqt 346,45 109,99 -7,221 472,456 4,5514 10 1 0 -0,90194 0,225244864502897
50443929 50443929.mol2, BDB-kin50443929.pdbqt 324,19 100,76 -7,203 442,43 4,6214 9 1 0 -0,90194 0,235115013080135
50443930 50443930.mol2, BDB-kin50443930.pdbqt 301,93 91,53 -7,185 412,404 4,6914 8 1 0 -0,90194 0,243415589136948
50443931 50443931.mol2, BDB-kin50443931.pdbqt 291,93 82,3 -7,511 396,405 5,1053 7 1 1 -1,0908 0,220101744019311
50443932 50443932.mol2, BDB-kin50443932.pdbqt 279,67 82,3 -7,167 382,378 4,7614 7 1 0 -1,0442 0,244360373819813
50443933 50443933.mol2, BDB-kin50443933.pdbqt 216,97 96,29 -5,665 306,28 2,5537 7 1 0 -1,8126 0,350342941832259
50443934 50443934.mol2, BDB-kin50443934.pdbqt 227,55 77,83 -6,426 331,162 3,6543 5 1 0 -1,6429 0,292864293091338
50443935 50443935.mol2, BDB-kin50443935.pdbqt 227,55 77,83 -6,426 331,162 3,6543 5 1 0 -1,6429 0,292864293091338
50443936 50443936.mol2, BDB-kin50443936.pdbqt 212,13 77,83 -5,69 296,716 3,0483 5 1 0 -1,6429 0,348882398593514
50443937 50443937.mol2, BDB-kin50443937.pdbqt 218,97 87,06 -4,972 292,297 2,3723 6 1 0 -1,5975 0,40909420137093
50443938 50443938.mol2, BDB-kin50443938.pdbqt 208,97 77,83 -5,298 276,298 2,7862 5 1 0 -1,8303 0,373468111638145
50443939 50443939.mol2, BDB-kin50443939.pdbqt 196,71 77,83 -4,954 262,271 2,4423 5 1 0 -1,8055 0,404382506885432
50443940 50443940.mol2, BDB-kin50443940.pdbqt 224,63 63,84 -5,518 359,158 3,8168 5 1 0 -4,1294 0,283900593032405
50443941 50443941.mol2, BDB-kin50443941.pdbqt 221,42 63,84 -5,42 314,707 3,6976 5 1 0 -2,2242 0,32553488123762
50443942 50443942.mol2, BDB-kin50443942.pdbqt 232,65 82,3 -5,228 318,291 2,71 7 1 0 -1,1703 0,404125252502204
50443943 50443943.mol2, BDB-kin50443943.pdbqt 219,91 82,3 -5,081 306,28 3,1022 7 1 0 -1,0442 0,416442800767596
50443944 50443944.mol2, BDB-kin50443944.pdbqt 266,43 91,53 -4,424 352,349 2,7808 8 1 0 -0,87256 0,468177250311391
50443945 50443945.mol2, BDB-kin50443945.pdbqt 244,17 82,3 -4,406 322,323 2,8508 7 1 0 -0,87256 0,477699854094198
These data are only available for scientific research purposes.