12021 1 2 3 4 5 6 7 8 9 10 11 12 8 8 8 6 6 6 1 1 1 1 1 1 1 1 2 2 3 5 5 5 6 6 6 4 5 4 6 4 7 8 9 10 11 12 1 1 1 1 2 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 -1.1023 1.1023 0.0001 0 -2.3611 2.361 -2.4596 -3.1547 -2.4587 3.1547 2.4596 2.4587 -0.698 -0.698 1.3264 0.1028 -0.0166 -0.0166 0.5978 -0.7684 0.5975 -0.7685 0.5978 0.5974 0.0002 0.0002 0.0002 0.0005 -0.0006 -0.0006 0.8995 -0.0008 -0.901 -0.0009 0.8995 -0.9009 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00002EF500000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 9.5976 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 0 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9223230749610619587 16714656 1 18413673495624449166 20096714 4 18267305511460724805 29004967 10 18335145301363585803 5460574 1 9295290538503579235 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 105.87 3.07 0.95 0.56 0 0.23 0 -0.28 0 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 189.417 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 69.8 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 6 1 -0.43 2 -0.43 3 -0.57 4 0.87 5 0.28 6 0.28 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 0 6 0 0 0 0 0 0 0 1 1