3283 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 8 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 2 3 4 6 7 5 8 9 10 11 12 13 14 15 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 0.0008 1.1747 -1.1754 2.3873 -2.3874 1.1905 1.1905 -1.1909 -1.1908 3.3119 2.3814 2.3815 -3.3125 -2.381 -2.3811 -0.2762 0.5222 0.5226 -0.384 -0.3844 1.159 1.1588 1.159 1.159 0.2 -1.0362 -1.0362 0.1989 -1.0366 -1.0366 0 0 0 0 0 -0.8916 0.8916 0.8918 -0.8918 0 0.8796 -0.8796 0.0001 -0.8796 0.8796 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00000CD300000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.6597 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 18410856563934769861 14390081 3 10809347753865978702 16714656 1 8358258150621479643 20096714 4 9151165459139035758 29004967 10 16917072156887344026 5460574 1 18410856555492534821 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 97.03 3.6 0.79 0.6 0 0.04 0 -0.67 0 0 0 0 0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 159.647 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 68.1 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2012.02.08 1 4 3 5 2 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.02.08 3 1 -0.56 2 0.28 3 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 2012.02.08 1 1 1 acceptor 5 0 0 0 0 0 0 0 1 1