5461041 1 2 3 4 5 16 6 6 1 1 1 1 2 2 3 2 3 3 4 5 1 1 2 1 1 2 5 10 1 2 3 4 5 1.0449 -0.5225 -0.5224 -1.096 -1.0959 0 -0.6516 0.6516 -1.5496 1.5496 0 0 0 0 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0053543100000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 26.2248 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 18194683661604307652 21015797 1 18409731763550111020 5943 1 16540957592952222143 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 65.59 1.22 0.91 0.64 0.31 0 0 0 0 -0.13 0 0.03 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 110.729 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 45.8 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 5 1 -0.2 2 -0.05 3 -0.05 4 0.15 5 0.15 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0.2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 0 3 0 0 0 0 0 0 0 1 1