15510 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 16 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 2 16 3 4 7 5 8 9 6 10 11 6 12 13 14 15 1 1 1 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 16 2.0049 0.7906 -0.1582 -0.1612 -1.2386 -1.2375 1.344 -0.6262 0.3274 0.3236 -0.6318 -2.2163 -1.0086 -1.0016 -2.216 2.631 0.0001 0.0012 -1.1894 1.1895 -0.7653 0.7639 0.0018 -1.3559 -2.1279 2.129 1.3532 -1.1693 -1.1409 1.1353 1.1705 -1.132 -0.7402 0.6234 0.5263 0.527 -0.4668 -0.4697 1.5671 1.5053 0.2397 0.2424 1.5051 -0.1845 -1.4704 -1.4736 -0.1942 -0.3865 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00003C9600000002 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 8.8909 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 16714656 1 18410864260553081165 20096714 4 17676771963772859876 21015797 1 8861218831272576569 21040471 1 18122889959094660665 29004967 10 16845288380004952498 5943 1 13268376995109368818 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 127.33 2 1.28 0.96 0.93 0 0.02 0 0.68 -0.32 -0.14 0.11 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 233.609 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 83.8 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 2 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 3 1 -0.41 16 0.18 2 0.23 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 1 5 2 3 4 5 6 rings 6 0 0 0 0 0 0 0 1 1