6560 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 8 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 4 4 4 5 5 5 3 15 3 4 5 6 7 8 9 10 11 12 13 14 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 1.9594 -0.4504 0.7828 -0.5784 -1.7133 -0.3371 0.8604 0.7368 -1.4652 -0.6678 0.2919 -2.596 -1.6455 -1.8724 2.7132 0.0117 -0.0005 -0.6763 1.45 -0.785 0.0176 -1.7134 -0.6727 1.9218 1.5073 2.0423 -0.325 -1.8143 -0.8217 -0.4505 0.1234 0.3254 -0.2805 -0.1446 -0.0237 1.4168 0.0623 -1.3749 0.2923 -1.2347 0.1559 0.4329 0.344 -1.1068 -0.2812 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000019A000000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 2.864 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 15.223 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9151185237484610803 16714656 1 18342746246879519262 20096714 4 17760651364972269816 21015797 1 9799105453779510699 21040471 1 17905048045151997004 24536 1 17273412764469436186 29004967 10 18336553827477865403 5943 1 11715247229715935033 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 97.03 2.03 1.27 0.64 0.51 0.48 -0.01 -0.47 0.04 -0.37 -0.1 -0.03 0 0.05 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 163.658 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 67 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 3 1 -0.68 15 0.4 3 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 3 1 1 acceptor 1 1 donor 3 2 4 5 hydrophobe 5 0 0 0 0 0 0 0 1 1