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-2.7411 -0.2603 2.2433 0.9099 1.0095 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0003301700000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 79.5448 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 40.697 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10062212 137 18337388335634595759 11132069 177 18410299116261813647 11796584 16 16081089277149465963 12011746 2 18412265021988813118 12236239 1 17967536809116997452 12251169 10 18410288134183334060 12403259 415 18334009467334765172 12403814 3 17894912958169440573 12507557 5 18408599275195279793 12553582 1 18339100249437584349 12633257 1 18342730849764810624 12670546 177 9439410129010467842 13140716 1 18410577309556800331 13224815 77 18272092712026118895 13583140 156 18200579401882108876 13675066 3 18113620092530104057 14178342 30 18410864235036868161 14223421 5 18269839726732868782 14341114 176 18412266112567634370 14341114 328 17489866033717472304 14790565 3 17759530254403245444 15196674 1 18411419535669112687 15209294 21 17846786195501522137 15375358 24 18413109455197682061 15536298 74 18272658930339064614 15788980 27 17749387083299765317 16945 1 18340493257206866943 17349148 13 18411130342440927559 17492 89 18410292523203139082 1813 80 17167860851215672716 18186145 218 18343591741235298644 19050596 39 18411139164224573585 19862831 5 9007062356979916095 200 152 18201429299286164079 20715895 44 18263922130016052901 20775438 99 12039429845432638241 21033648 29 18262779814179760832 21267235 1 18410020939435182726 21637258 2 15647317629836004328 21756936 100 17557412482646554736 21859007 373 17751347384105565253 22182313 1 18191023404643675135 22854114 59 18272089404716678115 23184049 59 18411138034853987630 23402539 116 18272923960001952565 23557571 272 17845104028473422167 23559900 14 18343025471673162078 26918003 58 18407755941366241129 2838139 119 15050868945929866386 296302 2 16988843890681411639 335352 9 18338800005152928223 34797466 226 15123509263328555945 34934 24 18342735200693106295 350125 39 18410857668443361796 4340502 62 18341059553799713203 474 4 18060137665101299648 5104073 3 18411707590757443155 58807428 26 18408882932126556194 59755656 215 18340773637278296478 633830 44 17775010102247116388 7364860 26 18201727189206127246 9709674 26 18342179929587653807 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 455.72 9.85 2.15 1.3 0.35 0.44 -0.31 -0.36 3.8 -0.49 -0.07 0 -0.28 0.1 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 986.08 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 249 Conformer RMSD 7 2009.12.11 0.6 Diverse Conformer ID List 6 2010.05.05 1 2 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 15 1 -0.68 13 0.28 16 0.14 17 -0.28 2 -0.53 20 -0.29 21 0.09 22 -0.14 23 0.54 3 -0.57 48 0.15 49 0.4 50 0.15 51 0.45 8 0.28 Count Effective Rotor 7 1.9.0 OEChem ncbi.nlm.nih.gov 2012.11.26 1.4 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 8 1 1 acceptor 1 1 donor 1 2 donor 1 3 acceptor 5 4 5 8 10 12 rings 6 13 17 20 21 22 23 rings 6 4 5 6 7 9 11 rings 6 6 7 13 14 16 17 rings 23 6 5 1 0 0 0 0 1 15