15857753 1 2 3 4 5 6 7 8 9 8 8 6 6 6 1 1 1 1 1 1 2 3 3 3 5 5 5 3 4 4 4 5 6 7 8 9 1 1 2 1 1 1 1 1 1 3 1 4 5 6 3 1 2 5 10 1 2 3 4 5 6 7 8 9 0.0869 1.6802 -0.6235 0.6817 -1.8253 -0.8094 -1.6115 -2.11 -2.6697 -1.1517 0.6351 0.0048 -0.0119 0.5237 -0.0916 0.6198 1.5065 -0.16 0.1715 0.1008 -0.498 -0.033 0.2587 -1.5593 1.3278 -0.1281 0.1312 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00F1F85900000002 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 25.9836 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 18343864411413202553 21015797 1 9222937218666068350 21040471 1 18410295817304891669 5943 1 10330793495488827687 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 91.16 1.97 0.91 0.65 0.35 0.16 -0.04 -0.62 0.19 -0.09 0.06 0.08 0 -0.03 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 173.116 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 56.6 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 2 1 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 6 1 -0.3 2 -0.57 3 -0.05 4 0.72 5 0.09 6 0.1 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0.4 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 1 1 2 acceptor 5 1 0 1 0 0 0 0 1 1