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0.2338 -0.707 2.7526 -0.2949 0.2539 -0.0715 -0.6047 -0.6029 -0.4909 -0.4638 0.1696 -1.5691 -1.7592 -0.0203 -0.9846 -0.6585 1.8926 1.5805 -1.6131 -1.0253 2.406 1.146 0.7183 0.8022 -1.1356 -0.6309 3.1377 3.3523 -0.3935 1.0663 0.6811 0.0311 -0.933 3.8631 -0.8907 0.2323 -1.2776 -2.179 0.5829 -1.1328 -0.9381 -1.35 0.3797 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 0396762600000001 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 84.7342 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 66.15 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10290309 65 17761793049612685616 10305334 12 17387955707349511856 11045515 52 18048878490065801796 11331351 85 17697326122584228784 11578080 2 17677917774952882021 11763715 3 17203055084338530674 12107183 9 17913214161715855017 12597179 24 18042965561070614176 12788726 201 17179970627439219672 13009979 54 17845931811000997889 13149001 5 17968673635046159963 13540713 4 17968958494509756731 13540713 5 18131080290394139313 13726171 33 17059511745700212753 13911987 19 18050294965774909516 14068700 675 18129661877528459264 14347332 77 17617098002017628098 15439362 3 18409166614642694621 15775530 1 18042423480389606370 167882 2 18410013264692537240 19319366 153 18200023096411939036 20554085 129 17986660683705697888 20775438 99 18266158695322555791 21033648 144 17896027922467717933 21344244 246 18411696621489901534 22182313 1 17969238891370495969 23559900 14 18334863788038371802 24771293 8 18342730781435555288 249057 3 18126280836524049289 4015057 19 18262530190659015954 4017518 198 18268996574316180932 4409770 3 17687748658846281672 4516262 110 18338513153579620917 46194498 28 18261940900087698517 57527295 17 17988647458245771161 5912855 24 18200877409200914975 6058803 2 18202004296523045937 633830 44 18186793665865662825 6669772 16 18339364192368121684 6700243 42 17124538804871172478 70251023 43 18340202995106863585 9981440 41 18121497118359553024 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 632.03 12.22 6.12 1.86 13.35 0.99 0.59 -0.26 -6.48 -15.7 -1.77 2.26 0.55 -0.61 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1385.39 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 346.5 Conformer RMSD 7 2012.05.21 1 Diverse Conformer ID List 6 2012.05.21 1 8 31 23 12 30 16 6 14 29 7 10 22 20 9 18 25 19 21 24 11 26 13 2 28 27 5 15 17 3 4 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 39 1 -0.19 10 0.22 11 0.22 12 0.27 13 -0.16 14 0.45 15 -0.33 17 0.41 18 -0.15 19 0.57 2 -0.19 20 0.28 21 -0.15 22 0.06 23 -0.15 24 -0.14 25 -0.15 26 0.08 28 0.19 29 -0.15 3 -0.68 30 0.19 31 -0.15 32 -0.15 33 0.28 4 -0.57 41 0.27 46 0.15 49 0.15 5 -0.36 50 0.15 51 0.4 55 0.15 56 0.15 57 0.15 6 -0.51 7 -0.81 8 0.03 9 0.16 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 7.2 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 13 1 27 hydrophobe 1 3 acceptor 1 3 donor 1 4 acceptor 1 5 acceptor 1 7 cation 1 8 cation 1 8 donor 4 6 9 10 11 rings 5 8 13 15 16 18 rings 6 16 18 21 23 25 26 rings 6 24 28 29 30 31 32 rings 6 7 9 12 13 14 15 rings 33 1 1 0 0 0 0 0 1 1