123340 1 2 3 53 8 1 1 2 2 3 1 1 2 5 10 1 2 3 -0.9603 0.9603 1.2991 0 0 -0.9108 0 0 -0.0163 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0001E1CC00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0 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 139733 1 18338798892935720133 21015797 1 18122348149022809893 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 47.23 1.52 0.73 0.73 0.15 0 0 0 0 -0.14 0 -0.14 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 54.975 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 42.2 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 3 1 0.03 2 -0.44 3 0.4 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 0 2 0 0 0 0 0 0 0 1 1