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283562 15 18260829258981817339 3103668 31 18262230033329344605 3534868 343 18262249901636539844 3627633 1 18409730638659836221 4046055 25 18335702784266829244 4409770 3 18263642871015522445 5969126 39 18413101749662427909 6058803 2 17552092001651005051 6673363 416 18194138515704664292 6698420 124 17410784557728460984 6700243 42 17913245076863727964 77188 2 18338237184191560789 9981440 41 17687192988800065777 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 630.74 16.61 9.51 0.71 31.09 12.64 -0.02 -22.34 -1.57 -12.45 -1.67 -0.35 -0.16 -0.33 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1349.442 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 347.5 Conformer RMSD 7 2012.05.21 1 Diverse Conformer ID List 6 2012.05.21 1 4 5 3 2 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 38 1 -0.56 10 0.37 11 0.37 12 0.28 13 0.28 14 0.72 16 0.31 17 0.43 18 -0.15 19 -0.15 2 -0.36 20 0.08 21 0.08 22 0.69 23 0.28 24 0.28 25 0.12 28 -0.15 29 -0.14 3 -0.36 30 -0.15 31 -0.15 32 -0.15 33 0.14 4 -0.57 42 0.15 43 0.15 44 0.37 49 0.37 5 -0.84 53 0.15 57 0.15 58 0.15 59 0.15 6 -0.62 7 -0.62 8 -0.55 9 -0.55 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 10.2 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 11 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 8 donor 1 9 donor 4 5 6 7 14 cation 6 1 5 10 11 12 13 rings 6 15 16 18 19 20 21 rings 6 25 28 29 30 31 32 rings 6 6 7 14 15 16 17 rings 33 0 0 0 0 0 0 0 1 7