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18265620883717688425 6669772 16 18272093768546227166 6691757 9 18341900739918595136 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 676.94 15.15 6.05 1.51 11.14 9.1 -0.26 -14.64 1.13 -1.53 -1.29 -0.29 1.06 -0.08 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1412.614 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 391 Conformer RMSD 7 2011.09.13 1 Diverse Conformer ID List 6 2012.02.08 1 15 18 13 16 4 8 14 6 17 19 11 9 2 12 7 5 3 20 10 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 31 1 -0.11 10 -0.14 11 0.41 12 -0.14 13 0.3 19 0.19 2 0.37 21 0.31 22 -0.15 23 0.4 24 0.28 25 0.54 3 -0.5 30 -0.15 31 -0.15 32 0.11 33 -0.15 34 -0.15 4 -0.68 5 -0.57 51 0.15 52 0.37 6 -0.6 64 0.15 65 0.15 66 0.4 67 0.15 68 0.15 7 -0.73 8 -0.62 9 0.41 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 9.8 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 11 1 1 hydrophobe 1 4 acceptor 1 4 donor 1 5 acceptor 1 7 donor 1 8 acceptor 4 19 26 27 28 hydrophobe 5 6 9 10 11 12 rings 6 13 15 16 17 18 20 rings 6 29 30 31 32 33 34 rings 6 8 10 12 21 22 23 rings 34 2 2 0 0 0 0 0 1 2