14055 1 2 3 4 5 7 6 6 6 1 1 2 2 4 3 3 4 5 3 1 3 1 2 5 10 1 2 3 4 5 -1.8561 0.6761 -0.6961 1.8761 2.9411 0 -0.0003 0.0001 0.0002 0.0006 0 -0.0001 0 0 0.0002 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000036E700000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -0.0776 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.148 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 8214141854354384016 20096714 4 18271243927714912776 21015797 1 8285038346965114378 5460574 1 8214146256706359938 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 77.34 2.46 0.6 0.6 0.09 0 0 0 0 -0.04 0 -0.04 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 137.506 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 47.5 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 -0.56 3 0.56 4 -0.18 5 0.18 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 2 1 1 acceptor 1 4 hydrophobe 4 0 0 0 0 0 0 0 1 1