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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50444054 50444054.mol2, BDB-kin50444054.pdbqt 251,13 82,96 -3,986 313,404 1,9705 6 3 0 0,43349 0,647615249838336
50444055 50444055.mol2, BDB-kin50444055.pdbqt 237,37 82,96 -3,686 299,377 1,5642 6 3 0 0,57558 0,691931459460761
50444056 50444056.mol2, BDB-kin50444056.pdbqt 243,4 96,23 -3,972 316,428 2,267 5 2 0 0,248 0,62458287668899
50444057 50444057.mol2, BDB-kin50444057.pdbqt 257,6 65,97 -3,258 312,42 2,0542 6 2 0 1,0096 0,744628660565289
50444058 50444058.mol2, BDB-kin50444058.pdbqt 267,15 82,96 -3,684 315,42 2,5641 6 3 0 -7,016 0,245031821228511
50444059 50444059.mol2, BDB-kin50444059.pdbqt 253,39 82,96 -3,414 301,393 2,1097 6 3 0 -3,5675 0,438373503304054
50444060 50444060.mol2, BDB-kin50444060.pdbqt 251,13 82,96 -3,986 313,404 2,1953 6 3 0 -1,4396 0,477606982728791
50444061 50444061.mol2, BDB-kin50444061.pdbqt 264,89 82,96 -4,256 327,431 2,5373 6 3 0 -0,9515 0,486423424900629
50444062 50444062.mol2, BDB-kin50444062.pdbqt 285,02 74,76 -3,952 340,473 2,6186 6 3 0 -1,0518 0,490863535509318
50444063 50444063.mol2, BDB-kin50444063.pdbqt 271,26 74,76 -3,9 326,446 2,4239 6 3 0 -1,0857 0,499362869322155
50444064 50444064.mol2, BDB-kin50444064.pdbqt 274,04 88,75 -4,945 334,426 3,3818 6 3 0 -1,6714 0,116065507349617
50444065 50444065.mol2, BDB-kin50444065.pdbqt 294,58 88,75 -4,654 354,5 2,6762 6 3 0 -1,792 0,400682726714758
50444066 50444066.mol2, BDB-kin50444066.pdbqt 280,82 88,75 -4,602 340,473 2,4815 6 3 0 -3,4495 0,371021291036874
50444067 50444067.mol2, BDB-kin50444067.pdbqt 273,56 62,73 -4,925 325,458 3,7314 5 2 0 -6,1378 0,320175219063762
50444068 50444068.mol2, BDB-kin50444068.pdbqt 337,74 115,22 -4,195 414,552 1,7153 8 5 0 -0,93283 0,462078008738839
50444069 50444069.mol2, BDB-kin50444069.pdbqt 330,39 94,99 -5,166 410,564 2,7654 7 4 0 -0,71772 0,402102662771752
50444070 50444070.mol2, BDB-kin50444070.pdbqt 371,67 94,99 -5,976 452,645 3,7914 7 4 0 -5,3809 0,231912251720776
50444071 50444071.mol2, BDB-kin50444071.pdbqt 384,46 115,3 -4,807 481,643 2,8725 9 4 0 5,1839 0,568148012673979
50444072 50444072.mol2, BDB-kin50444072.pdbqt 384,46 115,3 -4,718 481,643 2,8192 9 4 0 5,5473 0,578199181518623
50444073 50444073.mol2, BDB-kin50444073.pdbqt 369,07 137,95 -3,732 490,627 1,9221 10 3 0 -0,072393 0,492868119266378
These data are only available for scientific research purposes.