180 1 2 3 4 5 6 7 8 9 10 8 6 6 6 1 1 1 1 1 1 1 2 2 3 3 3 4 4 4 2 3 4 5 6 7 8 9 10 2 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 0.0003 0 1.281 -1.2813 1.3279 1.326 2.1351 -2.1352 -1.3284 -1.3266 -1.3171 -0.0872 0.7024 0.7019 1.3235 1.3282 0.0196 0.0187 1.323 1.3278 -0.0002 0.0006 -0.0002 -0.0002 -0.898 0.8945 0.0027 0.0027 -0.898 0.8945 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000000B400000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.6523 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 5.074 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9290717673991302211 20096714 4 18411138026090193976 21015797 1 9007056889502236007 5943 1 13610069792663804549 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 76.45 1.48 1.18 0.59 0 0.33 0 -0.56 0 0 0 0 -0.03 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 128.735 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 52.8 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 4 1 -0.57 2 0.45 3 0.06 4 0.06 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 1 1 1 acceptor 4 0 0 0 0 0 0 0 1 2