177 1 2 3 4 5 6 7 8 6 6 1 1 1 1 1 2 2 2 2 3 3 3 4 5 6 7 2 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 1.1443 -1.2574 0.113 -1.7938 -1.1865 -1.7928 0.1478 0.2412 0.1815 -0.4226 -0.1493 1.2719 -0.1468 -1.5252 0 0 0 0.8924 0.0016 -0.8938 -0.0007 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000000B100000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -0.1379 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 18410856564008687845 20096714 4 18411421734391837296 21015797 1 17975980078606383335 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 55.87 1.5 0.68 0.58 0.15 0.04 0 -0.19 0 0.01 0 0.04 0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 88.292 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 39.9 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 0.06 3 0.45 7 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 3 0 0 0 0 0 0 0 1 2