123296 1 2 3 4 35 35 16 16 1 2 3 3 4 4 1 1 1 2 5 10 1 2 3 4 1.9994 -1.9992 0.7731 -0.7733 -0.7548 -0.7549 0.7548 0.7549 -0.2606 0.2604 0.6737 -0.6735 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0001E1A000000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -8.7713 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 139733 1 9223231844827273569 16714656 1 17895196554353495527 20096714 4 9583252638134030543 29004967 10 18131628972112118842 5943 1 14884507956573172929 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 101.9 3.08 1.28 0.96 0 0.01 0 1.3 0 0 0 0 -0.14 0.38 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 129.275 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 86.4 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 4 2 3 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 0 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 2 1 1 hydrophobe 1 2 hydrophobe 4 0 0 0 0 0 0 0 1 1