57204762 1 2 3 4 5 6 7 8 9 10 11 16 8 8 6 6 1 1 1 1 1 1 1 1 2 3 3 4 4 4 5 5 2 11 4 5 10 5 6 7 8 9 1 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 -2.5745 -1.1219 2.4091 0.0152 1.2721 0.0116 0.0065 1.301 1.3098 3.1951 -2.7421 -0.3062 0.5067 -0.3536 -0.3478 0.5009 -1.0023 -0.9879 1.1478 1.1414 0.219 -0.38 0.0016 0.0039 0.0057 -0.0072 -0.004 0.8741 -0.899 0.8791 -0.8914 0.0074 -1.3269 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 0368E01A00000003 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.02.08 -0.3503 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 10.148 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9295289438896960453 16714656 1 18410575102127882271 20096714 4 18410856602726800968 29004967 10 14764352655916897207 5460574 1 9223234043855803873 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.02.08 95.01 3.72 0.76 0.6 0.56 0.01 0 -0.44 -0.01 0 0 0.08 -0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 152 Shape Volume 7 1.8.1 OEShape openeye.com 2012.02.08 68.1 Conformer RMSD 7 2012.02.08 0.4 Diverse Conformer ID List 6 2012.02.08 3 8 7 4 9 6 5 2 1 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 7 1 -0.17 10 0.4 11 0.18 2 -0.29 3 -0.68 4 0.28 5 0.28 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.02.08 2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 2 1 3 acceptor 1 3 donor 5 0 0 0 0 0 0 0 1 1