6584 1 2 3 4 5 6 7 8 9 10 11 8 8 6 6 6 1 1 1 1 1 1 1 1 2 3 3 3 3 5 5 5 4 5 4 4 6 7 8 9 10 11 1 1 2 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 -0.6412 0.4179 1.6979 0.4408 -1.9155 1.7371 1.7379 2.5638 -2.0281 -2.6911 -2.0283 0.7096 -1.3435 0.6957 -0.1201 0.0584 1.3171 1.3151 0.0274 -0.5533 0.8288 -0.5536 0.0001 0 -0.0001 0.0002 -0.0001 0.8979 -0.8997 0.0011 -0.9004 -0.0001 0.8999 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000019B800000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 4.4821 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 9221216440087595075 16714656 1 18264496250646115372 20096714 4 18411699919587064560 21015797 1 8862357830729484008 21040471 1 18338516451364488576 5460574 1 9295298239290302657 5943 1 11388330592722771550 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 91.16 2.2 1.06 0.58 0.47 0.31 0 -0.5 0 -0.18 0 -0.01 -0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 159.399 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 61.3 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 5 1 -0.43 2 -0.57 3 0.06 4 0.66 5 0.28 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 1 1 2 acceptor 5 0 0 0 0 0 0 0 1 1