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-0.2047 -1.1761 -0.4417 0.546 -1.4195 -0.4933 -1.1869 -0.7393 -0.7591 -0.5002 2.1197 1.1447 2.4318 1.5982 -1.0221 -1.8271 -1.7313 2.6769 1.6209 1.6393 0.2735 0.177 -1.9032 -1.8726 -1.7428 -0.2869 -0.1695 -0.9673 -0.9857 0.0262 -1.205 -0.7232 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 0343623800000001 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 128.5161 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 81.281 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10369192 42 17270571888638458504 10498660 4 18187634826145649237 10764073 3 17839698709785291552 10930396 42 18190154886334422240 11273773 38 17761490292935879677 11513181 2 18270682111575057143 12107698 1 18342455941413209502 12467345 10 18411138047548933901 12670546 177 18411138017537059399 12788726 201 17275117132310623201 13224815 77 18335975441759875609 13617811 41 18046328985369922269 13944108 23 16458243451089564453 14068700 675 18343017745037669464 14117953 113 17688292501007213389 14289585 56 17531526473412137341 14790565 3 18340769222774953321 15001296 14 18261104227726847365 15183329 4 18410012100376488111 15324884 4 17187021220209772696 15420108 30 17190675476594782440 15840311 113 18409173229999995949 17349148 13 11887655287252507601 17909252 39 17989211464539237242 17980427 23 17979878848708539616 18681886 176 18343294869286407842 20691752 17 17313095363139502761 20775438 99 17770191037251145687 221357 26 18413107255784055917 22149856 69 18267878340720194731 22182313 1 17898306127681790906 22393880 68 18335133168323775525 23559900 14 18272082773424362121 249057 3 18339923693542354085 2838139 119 16588313752350671902 3004659 81 18411978052915480778 350125 39 18336259076693978257 376196 1 17904758135535101520 4280585 95 18125446307077605710 46194498 28 18343306989256849478 463206 1 17846494893534689150 474 4 17530963643649214637 53794403 172 17896610672141350428 59755656 215 18337672035684128956 6669772 16 17057791087412180024 9709674 26 18338520853742968346 9981440 41 17974281320662815344 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 624.08 11.77 3.81 1.4 4.17 1.2 -0.13 -0.53 5.46 -0.95 0.29 -1.11 -0.22 0.45 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1374.534 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 333.8 Conformer RMSD 7 2011.09.13 0.8 Diverse Conformer ID List 6 2011.09.13 1 3 2 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 39 1 -0.18 10 -0.81 11 -0.8 13 0.14 15 0.48 16 0.33 17 0.42 18 -0.12 19 0.49 2 -0.68 20 -0.06 21 -0.14 22 0.49 23 0.05 24 0.03 25 0.03 27 0.18 28 0.27 29 0.27 3 -0.68 30 0.08 31 0.62 32 -0.15 33 -0.15 4 -0.57 42 0.4 43 0.4 5 -0.53 50 0.45 51 0.45 52 0.15 53 0.15 54 0.37 55 0.37 56 0.45 6 -0.53 7 -0.57 8 -0.53 9 -0.57 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 2.6 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 16 1 10 cation 1 11 donor 1 2 acceptor 1 2 donor 1 3 acceptor 1 3 donor 1 4 acceptor 1 5 donor 1 6 donor 1 7 acceptor 1 8 donor 1 9 acceptor 6 12 13 14 15 18 19 rings 6 12 15 16 20 22 24 rings 6 13 17 18 21 23 25 rings 6 21 25 27 30 32 33 rings 33 5 5 0 0 0 0 0 1 132