6346 1 2 3 4 5 53 53 6 1 1 1 2 3 3 3 3 4 5 1 1 1 1 2 5 10 1 2 3 4 5 -1.7025 1.7026 -0.0001 -0.0001 -0.0001 -0.4213 -0.4212 0.8425 1.4893 1.4893 0 0 0 0.8829 -0.8829 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000018CA00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.1837 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 16.159 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 18410856563934971238 16714656 1 9583511044757193338 20096714 4 9223230745389602774 5460574 1 18410856546786659622 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 85.61 2.99 1.07 0.78 0 0.04 0 -0.72 0 0 0 0 -0.05 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 104.306 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 74.3 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 -0.19 2 -0.19 3 0.38 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 3 1 1 hydrophobe 1 2 hydrophobe 3 1 2 3 hydrophobe 3 0 0 0 0 0 0 0 1 1