7904 1 2 3 4 5 6 7 8 9 10 11 12 8 8 6 6 6 6 1 1 1 1 1 1 1 1 2 3 3 3 3 5 5 6 6 4 5 4 4 7 8 9 6 10 11 12 1 1 2 1 1 1 1 2 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 -0.1888 0.9594 2.1173 0.914 -1.3603 -2.4416 1.9742 2.2848 2.998 -1.3145 -3.3281 -2.4563 0.6729 -1.3405 0.7621 -0.1173 -0.0348 0.0576 1.4194 1.3468 0.1394 -0.6761 -0.5274 0.7161 -0.2003 0.0251 0.1735 -0.0021 -0.3866 0.3904 1.0349 -0.7344 0.3553 -1.2571 0.1734 1.2515 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001EE000000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 11.6484 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 10447632600556278951 14390081 3 17846777433710436825 20096714 4 18202279246906012792 21040471 1 18339079418629543982 24536 1 18189883245471925813 29004967 10 18186525401432667217 5460574 1 9151179748627150317 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 111.74 3.13 0.99 0.65 0.83 0.25 0.01 -0.5 0.41 -0.4 0.02 0.11 -0.02 0.01 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 202.112 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 71.4 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2012.02.08 1 7 3 8 9 4 6 5 10 2 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.02.08 9 1 -0.23 10 0.15 11 0.15 12 0.15 2 -0.57 3 0.06 4 0.66 5 -0.07 6 -0.3 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.02.08 1 1 2 acceptor 6 0 0 0 0 0 0 0 1 1