10040 1 2 3 4 17 17 16 6 1 2 3 4 4 4 1 1 2 2 5 10 1 2 3 4 1.4754 -1.474 -0.0014 0 0.8369 0.8392 -1.6658 -0.0104 -0.0001 -0.0001 -0.0001 0.0002 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000273800000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.3812 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 9290573633688985474 16714656 1 18049736409503440398 20096714 4 18411699863625941136 21015797 1 9151180877966178831 5943 1 13538013298142811671 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 89.91 1.76 1.74 0.66 0.89 0.01 0 -0.01 0 -0.93 0 0.02 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 132.432 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 66.5 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 4 1 -0.21 2 -0.21 3 -0.38 4 0.8 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 1 1 3 acceptor 4 0 0 0 0 0 0 0 1 1