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0.2126 -1.0297 -1.0208 1.9603 0.8663 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2011.06.29 032D8AFF00000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 111.4105 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 50.996 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10675989 125 18262238936359160028 10906281 52 18338813217052494977 1100329 8 18337946896141658760 11421498 54 18200031729696968273 11578080 2 17843671416694613616 12422481 6 17894901897900815540 12788726 201 18271820029138405896 13140716 1 18335416898089913706 1361 2 18337111176862478618 13782708 43 14490741322159779968 14117953 113 18409167684832616244 14705955 166 13912590642238915166 14790565 3 18411418427588772813 14840074 17 18408885105242337833 14955137 171 18334857165230579322 15001296 14 18334857242254900692 15131766 46 15504374641593940070 15297060 5 18201712968865147370 15849732 13 18410006624272171038 16090146 7 18200889412917388458 16728300 4 17606940829610817002 19319366 153 18187356632081146763 20739085 24 18051124805106627235 21033648 144 18040713697575828607 23569917 315 18413394232683640095 249057 3 18411135832153209550 3178227 256 18339935904524318641 3493558 16 16734975551174714901 38695281 34 18410011022593014615 4340502 62 17095245826057000985 463206 1 18337945818126141792 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 706.54 12.66 4.6 1.75 9.98 3.43 -0.05 -7.7 0.79 -1.12 -0.86 -0.64 0.06 -2.72 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 1496.519 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 390.2 Conformer RMSD 7 2011.06.29 0.8 Diverse Conformer ID List 6 2011.06.29 1 5 4 7 3 2 6 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 44 1 -0.43 10 0.3 11 0.42 12 -0.28 13 0.57 14 0.42 15 -0.28 16 0.14 17 -0.29 18 0.14 19 -0.29 2 -0.68 20 0.14 21 -0.14 22 -0.29 23 -0.29 24 0.42 25 0.14 28 0.66 29 -0.15 3 -0.57 30 -0.15 33 0.06 34 -0.15 35 -0.15 36 -0.15 4 -0.68 42 0.37 45 0.15 49 0.15 5 -0.57 53 0.4 54 0.15 55 0.15 6 -0.73 61 0.15 62 0.15 69 0.4 7 0.06 73 0.15 74 0.15 75 0.15 8 0.14 9 0.14 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 10 1 2 acceptor 1 2 donor 1 3 acceptor 1 4 acceptor 1 4 donor 1 5 acceptor 1 6 donor 5 6 7 8 10 13 rings 6 21 29 30 34 35 36 rings 6 7 8 9 12 14 15 rings 36 8 8 0 2 2 0 0 1 2