5059686 1 2 3 4 5 6 7 7 7 6 1 1 1 1 1 1 1 2 2 3 3 2 3 6 3 7 4 5 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 0.4241 0.4216 -0.8456 -1.3989 -1.3989 0.6446 0.6411 -0.708 0.7094 -0.0014 0.0014 -0.0063 -1.0333 1.0355 0 0 0 -0.9264 0.9264 0.9405 -0.9404 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 004D346600000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 3.3232 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 11.508 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 21015797 1 18411981347213419047 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 51.78 0.94 0.86 0.55 0.19 0 0 0 0 -0.12 0 0.03 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 87.263 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 36.3 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 7 1 -0.52 2 -0.52 3 0.12 4 0.1 5 0.1 6 0.36 7 0.36 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0.6 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 2 1 1 donor 1 2 donor 3 0 0 0 0 0 0 0 1 1