82247 1 2 3 4 5 35 35 35 35 14 1 2 3 4 5 5 5 5 1 1 1 1 2 5 10 1 2 3 4 5 1.0972 -1.1009 -1.4221 1.426 -0.0001 -1.8982 0.4187 -0.1522 1.6319 -0.0001 0.207 1.8603 -1.6743 -0.3927 -0.0003 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0001414700000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.0489 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 137420 1 9148961041262284915 16714656 1 11582775392852442205 20711978 78 13383257165472146022 23552449 11 14097023139078071578 5943 1 15013359174476110178 68250623 7 16954181859625124691 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 144.88 1.97 1.97 1.97 0.02 0.37 0.37 -0.17 -0.33 -1.4 -0.05 1.38 -0.2 -0.45 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 198.612 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 114.7 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 -0.33 2 -0.33 3 -0.33 4 -0.33 5 1.33 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 0 5 0 0 0 0 0 0 0 1 1