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Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 45.729 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10165383 225 18410579482715442916 10675989 125 18197792007120264090 11513181 2 16688796247544704718 11578080 2 18410583880756490886 12160290 23 17832389327491613262 12422481 6 17748834020102753100 13636023 51 18114472149759760811 13726171 33 18264492956739217256 140371 6 17899430950175028875 14068700 675 17626107443350364266 14279260 333 17702965673143612036 14415360 78 18268133422063301653 15297060 5 18340497741611906665 15324884 4 17461175253513059959 19319366 153 18129379311044408382 20764821 26 18341317912450248626 21033648 29 17896324615357492289 508180 173 16487259854639403849 513532 50 16056584444664432792 5252454 2 18410843369795243044 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 866.17 11.93 5.81 3.65 0.01 8.17 0 -12.73 0 0 0 0 -3.99 -0.24 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1893.932 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 466.5 Conformer RMSD 7 2009.12.11 1 Diverse Conformer ID List 6 2010.05.05 1 4 2 3 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 66 1 -0.04 11 0.01 12 0.01 13 -0.15 14 -0.15 15 -0.15 16 -0.15 17 -0.15 18 -0.15 19 0.01 2 -0.04 20 0.01 21 0.01 22 0.01 23 -0.15 24 -0.15 25 -0.15 26 -0.15 27 -0.15 28 -0.15 29 -0.15 3 -0.17 30 -0.15 31 -0.15 32 -0.15 33 -0.15 34 -0.15 35 -0.15 36 -0.15 37 -0.15 38 -0.15 39 -0.15 4 0.29 40 -0.15 41 -0.15 42 -0.15 49 0.15 5 -0.14 50 0.15 51 0.15 52 0.15 53 0.15 54 0.15 55 0.15 56 0.15 57 0.15 58 0.15 59 0.15 6 -0.14 60 0.15 61 0.15 62 0.15 63 0.15 64 0.15 65 0.15 66 0.15 67 0.15 68 0.15 69 0.15 7 0.08 70 0.15 71 0.15 72 0.15 73 0.15 74 0.15 8 0.08 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 6.4 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 9 1 3 acceptor 3 4 9 10 hydrophobe 6 19 23 27 31 35 39 rings 6 20 24 28 32 36 40 rings 6 21 25 29 33 37 41 rings 6 22 26 30 34 38 42 rings 6 3 4 5 6 7 8 rings 6 5 7 11 13 15 17 rings 6 6 8 12 14 16 18 rings 42 0 0 0 0 0 0 0 1 1