674 1 2 3 4 5 6 7 8 9 10 7 6 6 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 2 3 4 5 6 7 8 9 10 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 0.0001 -1.2001 1.2001 0 -1.2506 -2.0853 -1.2467 2.0853 1.2506 1.2467 -0.5504 0.2752 0.2752 -1.1423 0.9105 -0.3685 0.906 -0.3682 0.9106 0.906 0 0 0 0.8302 0.8903 -0.0051 -0.8936 -0.005 0.8903 -0.8937 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000002A200000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.7417 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.148 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 18410856559639919493 21015797 1 18048037655416930340 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 56.76 1.63 0.72 0.59 0 0 0 0.25 0 0 0 0 0.02 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 84.534 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 43.2 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 -0.9 2 0.27 3 0.27 4 0.36 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 2 1 1 cation 1 1 donor 3 0 0 0 0 0 0 0 1 1