9548680 1 2 3 4 5 6 7 8 8 8 6 6 1 1 1 1 2 3 4 5 4 5 4 5 6 7 1 1 2 2 1 1 2 5 10 1 2 3 4 5 6 7 0 -1.2087 1.2086 -1.156 1.1562 -2.0195 2.0196 -1.0537 0.8746 0.8747 -0.3479 -0.3478 -1.0286 -1.0285 0 0 0 0 0 0 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0091B38800000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 9.7586 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.178 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 18410856563934756871 20096714 4 9223236264380425607 21015797 1 18338514127681731878 5943 1 15477361542488813330 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 85.29 1.7 1.06 0.55 0 0.03 0 0.25 0 0 0 0 -0.02 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 156.447 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 52.7 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 2 3 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 7 1 -0.3 2 -0.57 3 -0.57 4 0.66 5 0.66 6 0.06 7 0.06 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 2 1 2 acceptor 1 3 acceptor 5 0 0 0 0 0 0 0 1 1