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-1.6619 -1.882 -1.0748 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00018E8E00000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 61.5831 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 45.77 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10366900 7 17822288024172843115 10498660 4 18410290281176566605 10759866 29 17895752877219988352 10967382 1 18413389830177422730 11132069 177 18342734156831398184 11315181 36 18273498974824703784 12011746 2 18411979152580278029 12236239 1 18040151812674244682 12403259 226 18199743803695404113 12403259 415 18343294886360872881 12788726 201 18269271253388994225 12969540 114 18337094688472285237 13221675 6 18410013255965218818 13224815 77 18413670209953329819 13583140 156 17603590716507714953 14790565 3 17478060358290741049 15099037 51 18412544301593735101 15163728 17 16444726270254088215 15196674 1 18413389825871925444 15238133 3 17968082084947679984 15375358 24 18342457032445496686 15536298 74 18272931643814521928 15788980 27 18408606967771642848 15848702 151 17632026255796327478 1601671 61 18409729543447943812 16752209 62 18271520880006788401 16945 1 18196661919219348368 17349148 13 17274824666222061375 1813 80 13110967526549214362 18186145 218 18409724033131367081 19862831 5 18411140220860452912 200 152 17489870431600335897 20645477 70 18201723912251640446 21033648 29 18341886411696673265 21267235 1 18341339979971051103 21279426 13 18267587896796403428 221357 26 18341889706279285413 221490 88 18266465492992932954 22393880 68 18410002243716499205 23402539 116 18342173367383624918 23402655 69 18343021069110085476 23493267 7 18186240636394924747 23559900 14 18060131072474479408 2748010 2 18411419531273964121 296302 2 15502375638326502946 3004659 81 18334861563941728822 3286 77 16200143262254855610 335352 9 18341333279790278316 34934 24 18408038494521920952 350125 39 18412549825549542033 3545911 37 18412827992763040297 4028521 119 18409164394360178837 4214541 1 18413672413408845461 4340502 62 16733274460293660864 474 4 17677056875156216604 4921388 177 16515979158544236691 5104073 3 18412826875934413730 542803 24 15502378919887251956 59755656 520 17240203244688531442 633830 44 17968094283007974844 7364860 26 18129379474475192624 9709674 26 18338797935184341483 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 435.14 10.04 2.1 1.07 3.31 0.25 0.32 0.7 -2.32 -0.54 -0.07 -0.26 -0.27 0.46 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 935.395 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 238.6 Conformer RMSD 7 2009.12.11 0.6 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 15 1 -0.68 12 0.14 13 -0.28 15 0.45 16 0.34 18 -0.29 2 -0.57 20 0.14 22 0.28 3 -0.68 40 0.15 49 0.4 50 0.4 7 0.06 8 0.14 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1.8 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 9 1 1 acceptor 1 1 donor 1 2 acceptor 1 3 acceptor 1 3 donor 5 6 7 11 15 16 rings 6 4 5 6 7 9 10 rings 6 4 5 8 12 13 18 rings 6 8 13 14 20 21 22 rings 22 7 7 0 0 0 0 0 1 4