16843 1 2 3 4 5 53 9 9 9 6 1 2 3 4 5 5 5 5 1 1 1 1 2 5 10 1 2 3 4 5 -1.9409 0.6096 0.6091 0.6088 0.1134 0 -0.552 1.2563 -0.7043 0.0001 -0.0004 -1.1317 0.0881 1.0441 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000041CB00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.439 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 13469533721353388987 20096714 4 18269272546447910609 21015797 1 11598276969152764721 24536 1 18060699485873772369 5943 1 15978974269086367744 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 93.01 1.95 0.97 0.97 1.4 0.21 0.01 0 0 -0.15 -0.01 -0.15 -0.21 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 150.737 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 67.7 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 5 1 -0.19 2 -0.34 3 -0.34 4 -0.34 5 1.21 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 1 1 1 hydrophobe 5 0 0 0 0 0 0 0 1 1