6409 1 2 3 4 5 6 7 8 9 9 9 9 8 6 6 1 1 1 1 2 3 4 4 5 5 5 6 6 6 5 9 6 7 8 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 0.4807 1.4751 0.4989 -1.9756 -0.8841 0.405 -0.9581 -0.9575 -1.8951 -0.7232 0.8403 -0.823 -0.1094 0.7972 0.018 1.4801 1.3813 -0.6244 1.1234 -0.0276 -1.0552 0.0036 -0.0405 -0.0037 0.8108 -0.962 0.8246 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000190900000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 3.404 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.148 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 13192069745696328911 20096714 4 18340201998326596472 21015797 1 11671478102523055657 24536 1 17986382300714360749 5943 1 11880000315401038314 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 95.79 1.7 0.93 0.86 0.71 0.08 -0.01 0.16 0 -0.13 0.01 -0.18 -0.24 0.01 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 176.725 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 61.6 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 7 1 -0.34 2 -0.34 3 -0.34 4 -0.68 5 0.28 6 1.02 9 0.4 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 4 acceptor 1 4 donor 6 0 0 0 0 0 0 0 1 1