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-0.3715 -2.5586 -1.8661 -2.4462 -0.9742 -1.0308 -0.1008 0.0625 -0.0266 0.1901 0.0166 0.0615 0 -0.022 -0.0212 0.0169 0.1267 0.1608 -0.0614 -0.062 -0.0232 -1.0513 0.9902 -1.0703 0.9715 -0.0587 -0.0993 0.0477 0.1315 0.2093 -0.0925 -0.0213 -1.8514 1.8005 -1.8734 1.7594 -0.0734 -0.133 -0.9932 0.8254 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 0436C69700000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 71.9942 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 35.649 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10319926 262 17981300324444862866 10411042 1 18411699889363823563 10616163 171 18267022743868150358 10967382 1 18122905592981463321 10989021 7 18340768229677061089 1100329 8 18340772525135617505 11045515 52 18040999492768101156 11265709 11 18411702079818230651 11578080 2 17750774624362567324 11680986 33 18119815965296623163 12236239 1 18040720208799425070 12403259 226 18336539517169204477 12516196 113 18411980273577427978 12553582 1 18412254043282816814 12788726 201 18190745228497240344 12841375 25 18411419531099734917 13140716 1 18341891861941775321 13533116 47 18197217164866636547 138480 1 14735918829930261328 13862211 1 18411416207001412759 13955234 65 17981046628625389417 14178342 30 17844824606918171251 14347329 18 16590247737954808173 14739800 52 16772672311549251817 14767858 380 18189350099019167780 14787075 74 18114186323918024810 14790565 3 17619634579136909785 15042514 8 18195528095082007409 15196674 1 18411419522689382205 15342816 4 18410017619884269286 15352361 1 18411136926562735447 15536298 74 18271243936178337833 15927050 60 17764592418510405598 16752209 62 18119799223345493000 17492 89 18123748927301710191 17804303 29 18411419510009968325 1813 80 18272943721040966958 18222031 100 18272928345179645807 200 152 17968382251843569634 20028762 73 17988076811653622063 20369508 70 18337669823037136023 20510252 161 18055068753652569984 20645477 70 18267864076653580695 20832881 197 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18198343068208928049 7495541 125 18334580195685066123 7970288 3 18411416202480098878 8863177 126 17898302842786839699 9709674 26 18120653793415789011 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 411.36 10.26 3.1 0.81 2.61 2.92 0.03 -9.4 0.83 0.38 -0.42 -0.8 -0.19 -0.48 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 926.482 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 217.3 Conformer RMSD 7 2012.11.26 0.6 Diverse Conformer ID List 6 2012.11.26 1 2 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 31 1 -0.36 10 -0.15 11 0.04 12 0.08 13 -0.15 14 0.08 15 -0.15 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 0.33 20 -0.15 21 0.28 22 0.15 23 0.15 24 0.15 25 0.15 26 0.15 27 0.15 28 0.15 29 0.15 3 -0.63 30 0.15 31 0.15 4 -0.57 5 -0.02 6 -0.24 7 0.45 8 0.18 9 0.09 Count Effective Rotor 7 1.9.0 OEChem ncbi.nlm.nih.gov 2012.11.26 2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 7 1 1 acceptor 1 3 acceptor 3 2 4 11 cation 5 2 4 6 11 12 rings 6 2 3 5 6 7 8 rings 6 5 8 10 13 14 15 rings 6 9 16 17 18 19 20 rings 21 0 0 0 0 0 0 0 1 1