7924 1 2 3 4 5 6 7 8 9 10 11 12 13 8 8 8 6 6 6 6 1 1 1 1 1 1 1 1 2 2 3 4 4 4 5 5 6 6 6 4 7 5 7 7 5 6 8 9 10 11 12 13 1 1 1 1 2 1 1 1 1 1 1 1 1 4 1 5 6 8 3 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 -0.0218 0.784 2.2453 -1.0961 -0.6257 -2.3928 1.1072 -1.1805 -1.0253 -0.8432 -2.2992 -3.2155 -2.6511 0.9508 -1.1505 0.6154 0.0865 -1.2401 0.5592 0.1787 0.0841 -2.0793 -1.398 0.6471 -0.1244 1.5567 0.0405 0.0333 -0.0951 0.3926 -0.1262 -0.2317 -0.0134 1.486 0.4501 -1.1881 -1.3198 -0.0025 0.1397 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001EF400000002 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 8.1359 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 16714656 1 18410017671001753444 20096714 4 18410576192769916073 21040471 1 18411135844209559563 29004967 10 18114754754201976665 5460574 1 9439405726711290937 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 126.45 2.6 1.18 0.61 0.23 0.32 0.01 -0.8 -0.21 -0.01 -0.04 0.09 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 252.146 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 76.4 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 2 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 6 1 -0.43 2 -0.43 3 -0.57 4 0.28 5 0.28 7 0.87 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0.8 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 1 5 1 2 4 5 7 rings 7 1 0 1 0 0 0 0 1 1