6365 1 2 3 4 5 6 7 8 17 17 6 6 1 1 1 1 1 2 3 3 4 4 4 3 3 4 5 6 7 8 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 1.4562 -1.4564 0 0.0003 0 0.0004 -0.8828 0.8834 -0.7898 -0.7894 0.0839 1.4954 0.1026 1.4989 2.0487 2.0484 -0.1248 -0.1249 0.4042 -0.1545 1.4977 -1.2504 0.1834 0.1836 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000018DD00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.4376 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 139733 1 8790886280599926835 16714656 1 18122916321466578581 20096714 4 17254832495465798725 21015797 1 9006521371468108521 5943 1 10797602972479080648 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 86.06 1.74 1.5 0.69 0 0.59 -0.01 -0.85 0.13 0 0.12 0 -0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 127.402 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 65.3 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 3 1 -0.29 2 -0.29 3 0.58 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 0 4 0 0 0 0 0 0 0 1 1