10452 1 2 3 4 5 6 7 8 9 10 11 12 13 14 16 16 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 5 5 5 6 6 4 6 3 5 4 7 8 11 12 6 9 10 13 14 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 14 1.7251 -1.725 -0.6894 0.6953 -0.6953 0.6894 -1.2064 -0.6359 -0.6416 -1.2162 0.6417 1.216 1.2063 0.6357 -0.0036 0.0035 1.3857 1.3828 -1.3827 -1.3856 2.3089 1.375 -1.3721 -2.3039 1.3722 2.3039 -2.309 -1.3748 0.2528 -0.2527 0.3148 -0.3148 0.3149 -0.3149 0.0321 1.4091 1.4093 0.0325 -1.4091 -0.0322 -0.0324 -1.4093 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000028D400000001 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 4.9753 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 18410579487373790022 18185500 45 17184749087313714023 20096714 4 16610269156763167346 21040471 1 18410573989462346636 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 131.18 2.05 1.85 0.73 0 0 0 0 0 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 218.463 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 88.1 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 2 3 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 6 1 -0.46 2 -0.46 3 0.23 4 0.23 5 0.23 6 0.23 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 1.2 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