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-0.1134 -0.3505 -0.5359 0.39 0.552 1.5964 0.1395 0.5202 -1.1647 -1.8962 2.5773 2.9113 3.1238 2.778 1.8084 -0.3476 -2.5083 -3.3812 -3.3382 1.0115 0.543 -2.4429 -2.3489 -0.9959 -1.7167 -0.4299 -2.0801 -0.9319 -1.096 1.2482 0.0458 0.9574 0.3802 -2.6171 -3.423 -3.0586 -0.7568 -0.2254 0.2409 -1.4581 1.3278 0.5798 -0.34 4.2375 2.9999 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 043EE43100000005 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 129.1045 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 65.983 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10483366 6 18335413531764228837 10677394 325 18268709408397416453 11093857 51 18337686303554930902 11513181 2 18125452907734918903 12786520 15 17242157170986468108 14040221 299 17771057495938740216 15001296 14 18335144240728294036 15320467 1 18409169895939160646 20764821 26 18263366880558665678 25265897 201 17125670227683827511 3027735 51 18410290277414602757 4394409 98 18265601268617000633 550186 83 17749654286342647140 6371009 1 18411694375148782706 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 796.57 12.42 7.19 2.38 3.89 2.59 0.97 1.66 -2.32 -1.1 -2.18 -1.41 -2.21 -0.2 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1634.484 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 453.5 Conformer RMSD 7 2012.11.26 1 Diverse Conformer ID List 6 2012.11.26 5 2 4 6 9 3 1 11 10 7 8 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 48 1 -0.56 10 -0.54 11 -0.54 12 -0.8 13 0.28 16 0.28 17 0.14 18 0.14 2 -0.68 20 -0.29 22 -0.12 23 -0.28 24 0.42 25 0.12 26 0.54 27 0.28 28 0.42 29 0.14 3 -0.43 30 0.12 31 0.54 32 -0.14 33 -0.29 34 0.57 35 -0.15 36 0.62 37 0.78 38 0.28 39 -0.12 4 -0.56 40 -0.15 41 0.06 42 0.14 5 -0.57 54 0.15 58 0.4 6 -0.57 67 0.15 68 0.37 69 0.15 7 -0.57 70 0.37 71 0.15 75 0.15 8 -0.57 82 0.37 83 0.37 9 -0.57 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 7.8 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 13 1 1 acceptor 1 10 donor 1 11 donor 1 12 donor 1 2 acceptor 1 2 donor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 8 acceptor 1 9 acceptor 6 22 25 26 30 31 32 rings 42 6 4 2 3 3 0 0 1 1001