12310 1 2 3 4 5 6 7 8 9 10 11 12 13 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 4 4 4 4 2 3 6 7 8 9 10 5 5 11 12 13 1 1 1 1 1 1 1 3 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 1.4487 2.2876 0.014 -2.59 -1.1604 1.6977 1.6982 3.3534 2.0809 2.0813 -3.0001 -2.7718 -3.1397 0.6016 -0.665 0.2908 -0.267 0.0396 1.2025 1.203 -0.4154 -1.2767 -1.2762 -0.2095 -1.2756 0.4393 -0.0002 0 0.0002 -0.0002 0.0002 -0.8819 0.881 -0.0002 -0.885 0.8855 -1.0129 0.3828 0.6291 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000301600000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -1.7734 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.149 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9223226351754084000 16714656 1 15647053763565882083 29004967 10 18409450301553293448 5460574 1 9223235143383301377 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 102.9 3.69 0.81 0.62 0.78 0.01 0 0.79 0 -0.27 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 176.459 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 67.1 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 4 1 0.2 3 -0.2 4 0.2 5 -0.2 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 2 1 2 hydrophobe 1 4 hydrophobe 5 0 0 0 0 0 0 0 1 1