17601 1 2 3 17 8 7 1 2 3 3 1 2 2 5 10 1 2 3 1.3369 -1.1098 -0.2271 -0.1901 -0.3368 0.5269 0 0 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000044C100000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 0 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 18050568439179360357 20096714 4 9799688212190880786 21015797 1 17980478189276073060 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 52.76 1.65 0.69 0.57 0.25 0.01 0 -0.22 0 0 0 0.08 -0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 76.318 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 40.8 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 0.12 2 -0.16 3 0.04 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 0 3 0 0 0 0 0 0 0 1 1