67515 1 2 3 4 5 6 7 8 16 7 6 6 6 1 1 1 1 1 2 3 3 3 4 5 2 4 5 4 5 6 7 8 1 1 2 2 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 0.6575 1.2411 -1.0986 -1.0008 0.2008 -2.0324 -1.7897 0.4146 -1.2351 0.3212 0.5685 -0.8061 1.1515 1.1142 -1.5445 2.2117 0 0 0 0 0 0 0 0.0001 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000107BB00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.1449 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.148 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 16714656 1 8933629330025614408 20096714 4 9151166571409049335 21015797 1 18122626046096597123 21040471 1 9221216440193025155 5943 1 11954431037683550211 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 101.77 1.49 1.38 0.62 0.25 0.01 0 0.02 0 -0.06 0 0.02 0.02 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 191.544 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 65.3 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 0.18 2 -0.51 3 -0.15 4 -0.11 5 0.14 6 0.15 7 0.15 8 0.15 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 2 1 2 acceptor 5 1 2 3 4 5 rings 5 0 0 0 0 0 0 0 1 1