23272 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 8 7 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 5 6 6 6 2 3 4 5 6 7 8 9 10 11 12 13 14 15 2 1 1 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 12 13 14 15 1.8773 0.9 -0.3809 -0.4004 -1.5498 -0.4462 -0.2962 -1.3449 0.4077 -1.5378 -1.513 -2.5113 0.3642 -1.3917 -0.3739 0.0013 0.3011 -0.0056 0.8049 0.4031 -1.5048 1.8793 0.6572 0.5157 -0.1496 1.4712 0.2069 -1.8253 -1.7618 -2.1045 -0.0348 -0.7146 0.0108 1.3094 -0.8899 0.319 1.1149 1.8461 1.9919 -1.837 -1.1354 -0.4021 0.9844 0.8103 -0.5962 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00005AE800000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 11.1314 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 20096714 4 16733254673295035749 21015797 1 11026959809680069739 24536 1 18129685069961480524 29004967 10 16773507884319339279 5943 1 11316042298811428123 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 112.63 1.67 1.16 1.13 0.44 0.14 -0.07 -0.04 0.56 -0.18 -0.5 -0.21 -0.09 0.02 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 200.646 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 75.4 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 -0.16 2 -0.17 3 0.33 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 1 4 3 4 5 6 hydrophobe 6 0 0 0 0 0 0 0 1 1