6557 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 2 2 2 3 3 4 4 5 5 2 3 4 6 7 8 5 9 10 11 12 13 1 1 2 1 1 1 2 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 -0.5185 -0.6822 0.8202 -1.5949 1.9754 -0.2221 -1.737 -0.2221 0.8832 -2.6016 -1.5045 2.9182 2.0229 0.0447 -1.4501 0.6168 0.8486 -0.06 -1.8912 -1.7472 -1.8911 1.7038 0.4428 1.9305 0.4777 -1.1428 -0.0001 0 0 0 0 -0.8909 0.0001 0.8909 0.0001 0 0 0 -0.0001 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000199D00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 5.7553 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 139733 1 9293642370452269187 16714656 1 18334583408114596020 20096714 4 18409167679762441728 21015797 1 9653095798521072373 21040471 1 18338517439117308868 24536 1 18267573775123411708 29004967 10 14908174274440793493 5460574 1 9223226347395949600 5943 1 13409655417579321667 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 102.9 2.19 1.26 0.62 0.75 0.44 0 -0.34 0 -0.45 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 182.414 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 68.5 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 10 1 -0.14 10 0.15 11 0.15 12 0.15 13 0.15 2 0.14 3 -0.15 4 -0.3 5 -0.3 9 0.15 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 1 5 hydrophobe 5 0 0 0 0 0 0 0 1 1