9253 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 2 3 6 7 4 8 9 5 10 11 5 12 13 14 15 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 -1.0551 -0.9716 0.2952 0.4469 1.2846 -1.1742 -1.8887 -1.1092 -1.724 0.5683 0.2713 0.821 0.4759 1.8979 1.9655 -0.658 0.7805 -1.2327 1.1915 -0.0814 -0.6896 -1.202 0.8265 1.422 -2.1041 -1.5481 1.9934 1.556 -0.2164 -0.0323 0.2446 -0.2349 -0.1536 0.1309 0.013 1.334 -0.2082 -1.3217 0.2327 0.4489 -1.2036 -0.5127 1.1648 0.9106 -0.8435 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000242500000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.5477 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 18049175650263077436 20096714 4 18411419518193811928 21015797 1 9286753934404286723 21040471 1 18121217580275734301 5943 1 13003490908672847703 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 102.9 1.42 1.41 0.65 0.03 0 0 0 0.02 0.01 -0.02 -0.02 0 0.09 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 193.452 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 62.5 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 0 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 1 2 3 4 5 rings 5 0 0 0 0 0 0 0 1 1