13061653 1 2 3 4 5 6 7 8 9 10 11 12 13 14 8 8 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 5 6 3 14 6 4 5 7 6 8 9 10 11 12 13 1 1 2 1 1 1 1 1 1 1 1 1 1 3 1 4 5 7 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 14 -0.6446 1.9859 -0.8189 0.1474 -2.2645 1.5947 -0.5937 0.0488 -0.0578 -2.9481 -2.445 -2.523 2.3172 -1.2555 1.3007 0.5096 0.0657 -0.9607 -0.3839 -0.5315 0.2385 -1.923 -1.1117 0.3661 -1.3353 -0.4959 -1.2417 1.9464 0.3737 -0.3432 -0.3183 0.2675 -0.1529 0.1732 -1.3767 -0.2455 1.3339 -0.5651 -0.6622 0.9059 0.6112 -0.0208 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00C74E1500000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 3.4255 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 15.226 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 8358261466431184079 16714656 1 18131351925083283495 20096714 4 18264491689374847208 21040471 1 18408318916978611850 24536 1 18196358230692959734 29004967 10 18412546543609004539 5460574 1 10159703499080454543 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 111.74 2.69 1.08 0.66 0.14 0.14 0 -0.1 0.25 0.01 -0.12 0.01 0.01 -0.14 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 197.965 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 72.9 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2012.02.08 1 7 9 6 4 3 8 5 2 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 7 1 -0.68 13 0.06 14 0.4 2 -0.57 3 0.28 4 0.06 6 0.45 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 3 1 1 acceptor 1 1 donor 1 2 acceptor 6 1 1 0 0 0 0 0 1 2