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MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 47.4296 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 20.391 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10062212 137 18342170060095536391 10608611 8 18340484564208994232 10616163 171 18266464384828541271 10646746 165 18411982446677561069 10967382 1 18410012096081410246 11132069 177 18410004451340323209 11471102 20 18410572885719016318 11578080 2 16986301948863719723 12011746 2 18410295787282351478 12251169 10 18408322215434211549 12403259 226 18411977001165867217 12403259 415 18412539899453171393 12500047 106 18341609347556065722 13140716 1 18338792299817938850 13221675 6 18334857233728198067 13380535 76 18410576184665557551 13675066 3 18343300400718708907 14004511 7 18272093785973671169 14115302 16 18260561021447552502 14144814 61 18408322202533472393 14178342 30 18123732417246633290 14866123 147 17191518802007569450 15099037 51 18410014316621843343 15196674 1 18410013234247685231 15256400 18 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17489575784317702794 5104073 3 18410293618292147537 53812653 166 18412543184717556762 59755656 215 18336546002680240621 633830 44 17821728351226824735 69090 78 18343298184705761087 7164475 11 17839452629075410495 7364860 26 18268431424537819148 74978 22 18336548329755988140 77779 3 18409732863093374381 7832392 63 18340201989841994574 8809292 202 18334299785649053539 9709674 26 18338239387372295759 9981440 41 17398390213988271592 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 370.43 8.3 2.22 0.84 2.47 0.21 0.23 -0.27 -0.04 0.19 -0.04 -0.45 -0.16 0.27 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 782.03 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 202.4 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 0 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 2.2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 4 5 2 4 10 11 13 rings 6 1 2 3 4 6 8 rings 6 1 3 5 7 9 12 rings 6 5 7 14 16 17 18 rings 18 6 6 0 0 0 0 0 1 1