12343 1 2 3 4 5 6 7 8 9 10 11 12 13 14 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 4 5 5 6 4 6 7 8 3 5 9 10 4 11 13 6 12 14 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 14 -0.0018 0.0018 -1.2572 -1.2588 1.2588 1.2572 -0.0025 -0.0025 0.0026 0.0025 -2.2038 2.2066 -2.2065 2.2037 1.4899 -1.4901 -0.6719 0.669 -0.6689 0.6719 2.138 2.1377 -2.1381 -2.1379 -1.2046 -1.1994 1.1995 1.2046 -0.0001 0.0001 -0.0001 0.0001 0 0 0.8836 -0.8839 -0.8836 0.884 -0.0002 0 0.0002 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000303700000001 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 -4.9844 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 5.074 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 16714656 1 18338811064862318780 20096714 4 18410858750094268027 21040471 1 18338517542196562949 29004967 10 18260839240564772001 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 123.48 1.67 1.66 0.62 0 0 0 0 0 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 241.218 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 69.6 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 10 1 0.28 11 0.15 12 0.15 13 0.15 14 0.15 2 0.28 3 -0.29 4 -0.29 5 -0.29 6 -0.29 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 0.4 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 1 6 1 2 3 4 5 6 rings 6 0 0 0 0 0 0 0 1 1