12958 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 15 8 8 8 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 5 5 5 6 6 6 7 7 7 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 1 1 2 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 16 -0.0329 1.5026 -0.8186 -0.5826 -0.0473 2.143 -2.1642 0.2761 0.6195 -1.0541 2.3268 3.1027 1.5368 -2.7309 -2.197 -2.6121 0.4846 0.1637 -0.8849 1.7098 0.575 -1.0131 -1.035 -0.3659 1.3705 0.7969 -0.9438 -1.1094 -1.8949 -0.1226 -1.2645 -1.8632 -0.0675 -0.4664 -0.4244 -0.7403 1.7128 -0.0069 -0.0073 2.1658 2.0568 2.0776 1.0677 -0.5208 -0.2277 -0.211 1.0605 -0.5619 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000329E00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 6.5244 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 8646499508883358430 16714656 1 18263079925082307293 21040471 1 17759514470096764748 23552333 60 18340779229220116586 23552449 11 17273407485991728011 29004967 10 18116156751564896674 5943 1 14819785226121082385 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 130.3 2.42 1.44 1.15 0.28 0.17 0.47 -1.44 -0.08 -0.27 -0.13 -0.05 0.51 0.06 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 215.4 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 90.9 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 3 4 7 2 6 5 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 6 1 1.24 2 -0.55 3 -0.55 4 -0.7 6 0.28 7 0.28 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 1 1 4 acceptor 7 0 0 0 0 0 0 0 1 1