6587 1 2 3 4 5 6 7 8 9 10 8 8 7 6 6 1 1 1 1 1 1 -1 3 1 1 2 3 4 4 4 5 5 5 3 3 4 5 6 7 8 9 10 1 2 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 1.0761 1.0351 0.5295 -0.8191 -1.8216 -0.9082 -0.919 -1.7172 -1.7026 -2.8406 1.0889 -1.1139 -0.0004 0.0276 -0.0022 0.9388 -0.8421 -0.9084 0.8598 0.0193 0.1633 0.1421 -0.0865 -0.6742 0.4553 -1.2732 -1.3306 1.0621 1.121 0.0562 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000019BB00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.3826 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 15.302 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 10014992371317744910 20096714 4 17988367082205512457 21015797 1 8213046805176497214 5943 1 13605877410682762038 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 86.18 1.91 0.97 0.72 0.65 0.02 -0.07 -0.01 0.31 -0.44 0.07 0.19 -0.01 0.01 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 149.225 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 58 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 4 1 -0.52 2 -0.52 3 0.8 4 0.24 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 3 1 1 acceptor 1 1 anion 1 2 acceptor 5 0 0 0 0 0 0 0 1 2