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520 18260824904370606847 6138700 20 18410573968525495903 6328613 192 18335990856408706636 7226269 152 18131071506990580233 9709674 26 18268711791153991447 9965369 4 18411416194221505953 999808 66 17749402485405807099 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 475.17 17.87 2.43 0.8 11.43 0.93 0.04 1.47 0.26 -1.77 -0.29 0.84 0.11 0.26 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1008.313 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 266.5 Conformer RMSD 7 2010.09.10 0.8 Diverse Conformer ID List 6 2010.09.10 1 4 8 5 7 3 6 2 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 26 1 -0.08 10 0.18 11 -0.14 12 -0.09 13 0.1 14 0.81 15 0.14 16 -0.14 17 0.54 18 0.09 19 -0.15 2 -0.65 20 -0.15 21 -0.15 22 -0.15 3 -0.57 33 0.37 35 0.15 36 0.15 37 0.15 38 0.15 4 -0.57 45 0.5 5 -0.49 7 0.18 9 -0.18 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 5.8 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 9 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 donor 3 15 23 24 hydrophobe 3 2 3 14 anion 5 1 9 11 12 13 rings 6 16 18 19 20 21 22 rings 6 6 7 8 9 10 11 rings 24 0 0 0 0 0 0 0 1 11