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-2.2731 -1.2555 -2.2861 -0.6103 -1.1518 -3.3511 -2.3563 1.9828 0.3907 1.765 1.0501 2.658 -0.99 -0.2076 -0.6688 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 03633DEF0000000F Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 130.5122 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 55.902 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10369192 42 11024112053116603291 10674148 151 13479126896309253358 11136131 41 17258775348437515154 11488393 25 18122071059724751273 11720765 8 18338232803641163637 12202916 173 18412543223626808215 12741549 16 18272646857929580019 12758862 11 17168141269087681046 13140716 1 18192740919100081857 13540713 4 17700420183292945662 13782708 43 17701835301891997926 14068700 675 18259982665383286142 16114785 44 17981327781295163625 16664035 7 18411130343269414400 18365409 1 18049448046043629861 18470217 77 18268430140447709722 21365058 27 9295290555847167363 21927370 108 18411710872022948667 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50 26 119 92 87 30 69 88 96 25 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 40 1 0.37 10 0.41 11 -0.14 12 0.41 13 -0.14 15 0.19 16 0.31 17 -0.15 18 0.28 19 0.4 2 -0.5 24 0.54 25 0.3 26 0.3 27 0.27 28 0.27 29 -0.15 3 -0.68 30 -0.15 31 0.27 32 0.07 33 -0.15 34 -0.15 35 -0.07 36 -0.2 37 0.47 38 0.27 39 0.27 4 -0.57 45 0.15 5 -0.6 6 -0.62 65 0.15 66 0.15 67 0.4 7 -0.66 71 0.15 72 0.15 8 -0.81 9 -0.81 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 9.8 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 11 1 3 acceptor 1 3 donor 1 4 acceptor 1 6 acceptor 1 8 cation 1 9 cation 4 15 20 21 22 hydrophobe 5 5 10 11 12 13 rings 6 23 29 30 32 33 34 rings 6 6 11 13 16 17 19 rings 6 7 8 25 26 27 28 rings 39 2 1 1 0 0 0 0 1 1