31301 1 2 3 4 5 6 7 8 35 35 9 9 9 9 6 6 1 2 3 4 5 6 7 7 8 7 7 8 8 8 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 -2.1087 2.1087 -0.7967 -0.7965 0.7965 0.7967 -0.6738 0.6738 -0.9707 0.9707 1.1397 1.14 -1.1396 -1.14 0.3428 -0.3428 -0.0002 0.0001 1.0904 -1.0902 -1.0904 1.0901 0.0001 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00007A4500000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.7275 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.149 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 16714656 1 17914898866325470886 24536 1 17915169122673498472 29004967 10 17916596473613651235 5084963 1 18335138726196066220 5943 1 9507257448386714853 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 147.43 2.65 1.34 1.03 0 0 0 0 0 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 258.085 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 100.5 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 2 3 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 8 1 -0.23 2 -0.23 3 -0.34 4 -0.34 5 -0.34 6 -0.34 7 0.91 8 0.91 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 2 1 1 hydrophobe 1 2 hydrophobe 8 0 0 0 0 0 0 0 1 1