6562 1 2 3 4 5 6 7 8 9 10 11 8 6 6 6 6 1 1 1 1 1 1 1 2 2 2 3 3 3 4 5 5 4 3 4 5 6 7 8 9 10 11 2 1 1 2 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 1.8659 -0.515 -0.6385 0.8425 -1.5549 -0.1597 -1.6852 -0.1595 0.8855 -2.5738 -1.4274 -0.0517 0.0248 -1.4632 0.6223 0.8678 -1.8871 -1.7854 -1.887 1.7248 0.494 1.9454 -0.0001 -0.0001 0 0.0001 0 -0.8886 0.0002 0.8887 0.0003 0 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000019A200000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 2.3438 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 9221307703831869507 16714656 1 18334585611416994636 20096714 4 18409448046595411489 21015797 1 9652816522593984533 21040471 1 18338517443401746145 29004967 10 9871166372143426341 5943 1 12890891288851164871 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 97.03 1.92 1.29 0.6 0.58 0.47 0 -0.37 0 -0.44 0 -0.04 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 173.417 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 63.3 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 8 1 -0.57 10 0.15 11 0.15 2 -0.12 3 0.14 4 0.5 5 -0.3 9 0.06 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 1 1 1 acceptor 5 0 0 0 0 0 0 0 1 1