8255 1 2 3 4 5 6 7 8 9 10 11 12 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 2 3 4 5 6 7 8 9 10 11 12 1 1 2 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 0 -1.2734 1.2728 0.0006 -1.324 -1.3238 -2.1599 1.3228 1.3229 2.1598 0.9273 -0.9256 -0.0612 0.7314 0.7323 -1.4025 1.3689 1.3688 0.0883 1.3698 1.3699 0.09 -1.9667 -1.9675 0.0001 0 0 -0.0001 0.8886 -0.8887 -0.0002 -0.8887 0.8886 -0.0002 -0.0002 -0.0001 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000203F00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.8593 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 9218943753826980297 20096714 4 18411700963142856664 21015797 1 9079118881581458759 5943 1 12245728995357792619 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 82.32 1.43 1.38 0.62 0 0.49 0 -0.59 0 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 138.332 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 57.6 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 6 1 -0.28 11 0.15 12 0.15 2 0.14 3 0.14 4 -0.3 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 4 1 2 3 4 hydrophobe 4 0 0 0 0 0 0 0 1 1