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18266750250005107611 3298306 158 18334857255203404827 3383291 50 18410292524041630250 340366 18 17604998190001442884 3633792 109 18334299786039957212 38695281 34 18412545435592455439 463206 1 18270962474128870319 484989 97 18117570732303869427 57527358 35 14691195460937971494 57527585 103 17753652080118958162 59755656 215 18410291402226334567 6004065 56 18058444485745358472 6138700 20 18408605838612306750 6669772 16 18057307595534086080 6700243 42 16763677924420338422 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 618.72 13.53 4.17 1.26 8.91 1.32 0.18 0.31 -5.57 -1.94 1.61 -0.63 -0.01 -0.45 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1356.844 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 338.3 Conformer RMSD 7 2012.11.26 0.8 Diverse Conformer ID List 6 2012.11.26 1 12 7 11 9 5 6 10 8 3 4 2 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 38 1 -0.19 10 -0.18 13 -0.33 14 0.48 15 0.27 16 0.27 18 -0.15 19 0.28 2 -0.68 20 0.54 21 0.27 22 -0.15 23 -0.15 24 -0.15 25 0.09 26 0.08 27 -0.15 28 -0.15 29 -0.15 3 -0.57 30 -0.15 31 0.19 32 0.28 4 -0.36 44 0.27 5 -0.66 50 0.15 51 0.15 52 0.15 53 0.4 54 0.15 55 0.15 56 0.15 57 0.15 6 -0.81 7 0.03 8 0.18 9 0.3 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 5.6 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 12 1 2 acceptor 1 2 donor 1 3 acceptor 1 4 acceptor 1 6 cation 1 7 cation 1 7 donor 5 7 10 13 17 18 rings 6 17 18 22 23 24 26 rings 6 25 27 28 29 30 31 rings 6 5 8 9 10 13 14 rings 6 6 8 11 12 15 16 rings 32 1 1 0 0 0 0 0 1 1