8028 1 2 3 4 5 6 7 8 9 10 11 12 13 8 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 4 4 5 5 4 5 3 4 6 7 5 8 9 10 11 12 13 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 1.2328 -1.0107 -1.0102 0.3936 0.3946 -1.7823 -1.1544 -1.7812 -1.1537 0.4518 0.7622 0.4532 0.7639 -0.0005 -0.7202 0.721 -1.156 1.1557 -1.3279 -0.7757 1.3292 0.7766 -1.4889 -1.9589 1.4885 1.9583 0 -0.2205 0.2205 0.1374 -0.1375 0.2593 -1.306 -0.2593 1.3061 1.1792 -0.5071 -1.1793 0.507 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001F5C00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 4.873 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 8934459422386089895 16714656 1 17620205230145170438 20096714 4 18411706452110905065 21015797 1 9151180852212108359 21040471 1 18195529186098808441 5943 1 13065861874110754583 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 97.03 1.38 1.32 0.63 0 0.04 0 -0.03 0 0 0 0 0.04 0.09 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 183.391 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 62.4 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 3 1 -0.56 4 0.28 5 0.28 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 1 acceptor 5 1 2 3 4 5 rings 5 0 0 0 0 0 0 0 1 1