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-0.4154 0.7571 -2.2508 -1.1079 -0.7291 3.309 -0.0164 3.8068 -4.9407 -5.7854 -6.1902 0.8768 4.7453 0.5299 -2.2939 3.3736 3.5425 3.757 0.9888 -1.8257 -0.1855 2.183 1.722 3.1247 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 0395F1DC00000001 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 159.228 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 55.828 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10032420 55 17531245101372334019 11115154 58 18198882752678429405 11297750 10 17896608460533047875 11445158 3 18196670694143626263 1200032 147 15503772980129939684 12106331 60 18339646617055331186 12342043 65 18042977660341581795 12440605 4 17693662515692081538 12788726 201 18053370008119220372 13673619 4 17896334660531643659 13782708 43 17823996703913599826 14068700 675 18114763576739925370 14955137 171 18269853019809650648 15021287 119 18060427936012939419 15324884 4 17971174057821671213 16114785 44 17837223575482156992 19319366 153 17395553019254838861 244849 19 18044357534649804257 255183 313 16557923220651799443 3380486 145 17774728545545065084 508180 173 18268405998210264117 9896288 288 17981625770969247218 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 859.19 17.09 6.41 5.13 37.08 13.3 -4.78 -26.63 -4.35 3.02 6.27 -15.13 -1.32 6.78 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1834.967 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 478.2 Conformer RMSD 7 2012.05.21 1.4 Diverse Conformer ID List 6 2012.05.21 1 9 31 19 11 17 18 15 22 29 27 16 28 20 6 3 8 34 21 14 4 24 10 33 7 25 12 32 13 26 5 2 23 30 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 57 1 -0.33 10 -0.66 11 0.29 12 0.44 13 0.06 14 0.57 15 0.57 16 -0.14 17 0.3 18 0.3 19 0.57 2 -0.57 20 0.3 21 0.3 22 -0.15 23 -0.15 24 0.06 25 0.1 26 0.14 27 -0.15 28 -0.15 29 0.57 3 -0.57 30 0.08 31 -0.15 32 -0.15 33 -0.14 34 0.06 35 -0.15 36 -0.15 37 0.08 38 -0.15 39 -0.15 4 -0.57 40 0.28 41 -0.15 42 -0.15 43 -0.15 44 0.28 5 -0.36 56 0.15 57 0.15 6 -0.57 62 0.15 63 0.15 64 0.15 65 0.15 69 0.15 7 -0.36 70 0.15 71 0.15 72 0.15 76 0.15 77 0.15 78 0.15 8 -0.42 9 -0.66 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 14 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 11 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 5 8 11 12 13 15 rings 6 16 22 23 27 28 30 rings 6 25 31 32 35 36 37 rings 6 33 38 39 41 42 43 rings 6 9 10 17 18 20 21 rings 44 2 2 0 0 0 0 0 1 2