8005 1 2 3 4 5 6 7 8 9 10 11 12 13 14 17 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 4 4 5 5 5 4 3 4 6 7 5 8 9 10 11 12 13 14 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 2.6882 -0.0263 -1.3155 1.1994 -2.5457 -0.0025 -0.0139 -1.347 -1.3389 1.2218 1.2175 -2.5696 -3.4557 -2.5611 -0.386 -0.317 0.5046 0.587 -0.3886 -0.9624 -0.9743 1.1434 1.1653 1.2383 1.2118 -1.0422 0.2195 -1.0163 0.0017 0.0065 0.0106 -0.0102 -0.0086 0.8934 -0.8718 0.9009 -0.864 0.8686 -0.9081 0.8693 -0.0041 -0.9052 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001F4500000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -2.576 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 9223230745326325216 16714656 1 18408604759852510687 20096714 4 18410012177722848456 29004967 10 15410900668852399438 5460574 1 9223231845017164640 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 104.77 4.07 0.82 0.62 0.39 0.03 0 -0.73 -0.01 0.03 0 0.02 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 166.154 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 74.4 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2012.02.08 1 7 6 2 3 4 5 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 2 1 -0.29 4 0.29 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 1 1 5 hydrophobe 5 0 0 0 0 0 0 0 1 1