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0.934 2.0008 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00018E6500000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 69.3909 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 30.544 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10498660 4 18335698321468838740 10618630 7 18334856116978704916 10967382 1 18408881836998955496 11132069 177 18408885139823537837 11552529 35 17560515226696903831 12011746 2 18408599250084631903 12236239 1 17988921184969272679 12251169 10 18411986871132192513 12403814 3 18272079505144160533 12553582 1 18333739013365195197 12596599 1 18129959930340811379 128620 24 17530684307497268786 13140716 1 18264211498609487937 13214271 11 18411130359779071791 13221675 6 18412259523607793231 13224815 77 18410569587120783782 13296908 3 18341892978659184630 13675066 3 18342454863286688544 14178342 30 18120362173731652216 14223421 5 18191583060272803310 14252887 29 18272939310373291286 14289901 80 15792012229609828164 14787075 74 18338234997773060680 14790565 3 18120100743051385308 15196674 1 18409444791025817544 15209294 21 18060147509583171281 15309172 13 18410012122157409555 15375358 24 18408317791623262347 15536298 74 18342739611223488654 15848702 151 18060426798036451599 16945 1 18194682570656071908 17349148 13 17312822675739544626 1813 80 17167868564612978509 18186145 218 18341615893149664814 18785283 64 17752502098620903013 19141452 34 18272653471868323439 200 152 18272076237064393039 20510252 161 18271524191416212545 20645477 70 18272926085873718238 21267235 1 18408891736708987059 21421861 104 17897155836798138250 21637258 2 15647061520936156929 22854114 111 18334573521242253314 22854114 59 18408323289218214203 23184049 59 18273218590526690285 23402539 116 18340193185554598766 23463225 33 18335419071153201501 23557571 272 18413111649873222836 23559900 14 18266733593895456666 2748010 2 18410283710013779924 2871803 45 18334569131643265038 296302 2 17632292389091795172 335352 9 18120931711547291852 34934 24 18410002217994200533 350125 39 18335700495407813242 474 4 18337951315610564216 5104073 3 18410290319752021979 633830 44 17988929924958805447 69090 78 18131626789983960958 7097593 13 17320969850543053083 7495541 125 15936985140019291161 9709674 26 18410576184370307798 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 405.72 8.55 2.09 1.11 0.55 0.28 0.29 0.07 -1.91 -0.2 0.03 0.22 -0.21 0.25 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 865.602 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 225 Conformer RMSD 7 2009.12.11 0.6 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 9 1 -0.68 14 0.14 17 0.28 18 -0.29 20 -0.29 45 0.15 49 0.15 50 0.4 7 0.14 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1.8 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 6 1 1 acceptor 1 1 donor 5 5 7 14 18 20 rings 6 2 3 4 6 9 10 rings 6 2 4 5 7 8 11 rings 6 3 6 12 13 16 17 rings 20 7 7 0 0 0 0 0 1 1