12586 1 2 3 4 5 6 7 8 9 10 11 8 8 6 6 6 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 5 5 3 5 4 5 4 6 7 8 9 10 11 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 1.1661 -1.1664 0.721 -0.7205 -0.0001 0.8175 1.3243 -0.8171 -1.3235 0.0961 -0.0966 -0.3604 -0.36 0.9491 0.9496 -1.1782 1.0634 1.7104 1.0644 1.711 -1.8114 -1.8125 0.1332 -0.1327 -0.2152 0.215 -0.0003 -1.3004 0.2851 1.3001 -0.2857 -0.8873 0.886 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000312A00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 9.2454 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 15.264 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9295288352238521091 20096714 4 18410581677448629152 21015797 1 9223240632335674917 5943 1 12906092419230656752 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 91.16 1.34 1.25 0.6 0.06 0 0 0 0 -0.05 0 -0.03 0 0.08 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 172.917 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 56.7 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 5 1 -0.56 2 -0.56 3 0.28 4 0.28 5 0.56 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 3 1 1 acceptor 1 2 acceptor 5 1 2 3 4 5 rings 5 0 0 0 0 0 0 0 1 1