66348 1 2 3 4 5 6 7 8 16 16 16 16 16 16 16 16 1 1 2 3 4 5 6 7 2 3 4 5 6 7 8 8 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 0.0238 -1.6211 1.6548 -2.3163 2.3163 -1.6546 1.6212 -0.0241 2.3163 1.6547 1.6209 0.0237 -0.0238 -1.6208 -1.6547 -2.3162 -0.5082 0.508 0.5085 -0.5082 -0.5084 0.5086 0.508 -0.5083 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0001032C00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -65.2069 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 0 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 14251711 518 18266734882032321482 14251717 144 17690557486360447597 15775835 57 18194971742277610340 20651381 6 18266460004114788997 2748010 2 18338797930514743383 2897 32 18048878790412773548 66348 1 18410575088958046208 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 195.43 3.37 3.37 0.95 0 0 0 0 0 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 276.972 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 153 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 0 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1.6 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 0 8 0 0 0 0 0 0 0 1 1