7845 1 2 3 4 5 6 7 8 9 10 6 6 6 6 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 2 3 5 4 6 7 8 9 10 1 2 1 2 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 -0.6022 0.6024 -1.8315 1.8314 -0.4975 0.4979 -2.7035 -1.9975 2.7036 1.9969 0.3972 -0.3975 -0.1305 0.1308 1.4789 -1.4792 0.5151 -1.2027 -0.5143 1.203 0 0 0 0 0.0001 0.0001 0 0 0 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001EA500000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 2.2892 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.149 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 18410856568382724454 20096714 4 9871457729671034315 21015797 1 18050287273387229222 5460574 1 18410856546754887684 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 82.32 2.47 0.7 0.62 0 0 0 0 0 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 140.572 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 55.5 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 2 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 10 1 -0.15 10 0.15 2 -0.15 3 -0.3 4 -0.3 5 0.15 6 0.15 7 0.15 8 0.15 9 0.15 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 2 1 3 hydrophobe 1 4 hydrophobe 4 0 0 0 0 0 0 0 1 1