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-1.0478 -1.6482 0.7612 2.2023 1.09 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 0364A6E300000005 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 101.1667 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 66.065 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10 15 18260547853151955024 10100884 174 18121777494843760531 11456790 92 18060129913212631072 11578080 2 16987135335727666978 11646440 116 18060140942245989681 11724838 91 18407755949792710390 12236239 1 17917713483386467141 12516196 113 18342740702351085561 12788726 201 17346036667341853256 13073987 5 18270681952624278009 13140716 1 18265329693814551676 13533116 47 18059294262795461662 13692114 37 17821730563246558578 13782708 43 17822854156845184703 13811026 1 18260830406539990315 14028597 1 17917438579598956891 14251764 18 18341612637653995373 14394314 77 18201726107207347633 14461889 52 18261114092728799539 14849402 71 18131353059546033097 14856354 85 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614.49 21.2 2.25 1.29 26.41 0.37 -0.2 1.76 7.24 -0.47 0.09 -0.03 -0.11 -0.26 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1284.309 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 346.8 Conformer RMSD 7 2012.02.08 0.8 Diverse Conformer ID List 6 2012.02.08 5 33 22 12 19 24 35 23 28 17 15 31 9 20 1 21 13 16 26 2 18 25 27 34 3 32 10 11 8 29 4 14 6 30 7 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 17 1 -0.68 10 0.28 12 0.14 15 0.28 18 -0.28 19 0.14 2 -0.68 24 0.06 25 -0.14 26 0.49 28 0.28 3 -0.57 4 -0.68 57 0.4 63 0.15 64 0.4 69 0.4 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 6.8 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 13 1 1 acceptor 1 1 donor 1 2 acceptor 1 2 donor 1 23 hydrophobe 1 3 acceptor 1 4 acceptor 1 4 donor 3 29 30 31 hydrophobe 5 5 6 9 11 14 rings 6 12 18 20 24 25 26 rings 6 5 6 7 8 10 13 rings 6 7 8 12 15 18 19 rings 31 10 10 0 0 0 0 0 1 5