6431 1 2 3 4 5 6 7 8 9 9 9 9 9 9 6 6 1 2 3 4 5 6 7 7 7 7 8 8 8 8 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 1.2315 1.2314 1.2315 -1.2313 -1.2317 -1.2314 0.7487 -0.7487 -0.2879 -0.9187 1.2064 0.9186 -1.2064 0.288 -0.0001 0 1.2269 -0.8627 -0.3642 0.8628 0.364 -1.2268 0 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000191F00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -3.1642 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 0 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 20096714 4 18339380581488692529 21040471 1 17845382050407066481 24536 1 18342737416252574761 29004967 10 17344603041570401663 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 120.99 1.71 1.04 1.04 0 0 0 0 0 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 239.849 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 72.9 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 8 1 -0.34 2 -0.34 3 -0.34 4 -0.34 5 -0.34 6 -0.34 7 1.02 8 1.02 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 0 8 0 0 0 0 0 0 0 1 1