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-0.059 1.4367 1.3799 1.3391 -0.2234 0.4103 -1.1148 0.1998 1.586 0.4579 1.7572 -0.9984 0.5385 -2.2233 -2.1993 -2.2644 -1.1873 0.2677 -1.6419 -1.28 -1.9609 2.1131 1.1144 0.7211 -1.7562 -2.1131 -1.4181 1.5876 0.102 1.8105 -1.7017 -2.0173 -1.6384 1.698 1.744 0.4461 -1.1226 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00027DBF00000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 92.7257 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 40.609 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10616163 171 18411422787255196646 10906281 52 18271542913758702885 11578080 2 17677872673829128156 12011746 2 18408879616928131591 12236239 1 17748545944404489802 12422481 6 18127429864354780889 12553582 1 18410575106301608218 12596602 18 14548725210423195430 12633257 1 18342188781989634219 12714826 92 17676472961055667845 12760667 363 18341609253309962982 12788726 201 18270414801595634272 13140716 1 18267028434883985995 13533116 47 18127406980969812227 13544653 18 18412261739969199428 13551218 46 18270401585707094115 13583140 156 16842749719257002659 13862211 1 18412542111529990887 14115302 16 18186806914889899964 14790565 3 18266465291557322673 14866123 147 18052821338588907531 15042514 8 18266745666621329464 15099037 51 18408317796551199959 15196674 1 18339641140296314688 15209289 33 18040719216239974059 16752209 62 18263347132188236105 16945 1 18410013252055340797 17349148 13 17917998316917008919 17804303 29 18341055202380624793 1813 80 17603870009282089676 19141452 34 18342739637030637979 19591789 44 18266458707097962858 200 152 16008744706455956192 20281475 54 18408605872554956366 20600515 1 18338809978119814861 21029758 11 18342449348860111769 21029758 27 18187373137941060765 21267235 1 18337118877981686642 21279426 13 18265890268392251477 21521721 280 8357961291625932895 22950370 63 18335710450456482498 23175994 123 18186802478631892205 23366157 5 17899135198093815780 23402539 116 18271519828161449623 23557571 272 18058748896158621124 23559900 14 18411133675842087856 2748010 2 18122342651823354133 3004659 81 18113898235187667234 3286 77 16701727367659958409 335352 9 18410856547493522133 5104073 3 18270114605188368216 559249 180 18045213852328691234 9709674 26 18199188395630954998 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 441.01 9.73 2.83 1.2 6.55 0.05 -0.46 -4.5 0.95 0.09 0.22 -0.15 0.18 -0.08 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 890.963 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 257.3 Conformer RMSD 7 2009.12.11 0.8 Diverse Conformer ID List 6 2010.05.05 1 7 6 3 9 2 5 8 4 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 11 1 -0.68 19 0.42 2 -0.68 21 -0.29 22 -0.3 51 0.4 55 0.15 56 0.4 57 0.15 58 0.15 7 0.28 Count Effective Rotor 7 1.9.0 OEChem ncbi.nlm.nih.gov 2012.11.26 5.6 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 8 1 1 acceptor 1 1 donor 1 2 acceptor 1 2 donor 1 22 hydrophobe 3 6 15 16 hydrophobe 6 3 4 5 7 9 10 rings 6 3 4 6 8 11 12 rings 22 5 5 0 0 0 0 0 1 1