10005 1 2 3 4 5 6 7 8 9 10 7 7 7 7 6 6 1 1 1 1 1 1 1 2 2 2 3 3 4 5 7 8 5 9 10 5 6 6 1 1 1 1 1 1 2 1 3 2 5 10 1 2 3 4 5 6 7 8 9 10 2.2354 0.7665 -0.138 -2.4169 0.9105 -1.3575 2.4985 2.9833 1.5812 -0.1344 0.4196 -1.3281 0.8196 -0.2122 0.0393 0.2618 1.3991 -0.2653 -1.9329 -1.7927 0 0 0 -0.0001 0 0.0001 -0.0002 -0.0002 -0.0005 -0.0001 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000271500000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 16.3493 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 20.352 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9223220849937888097 16714656 1 18411140276768809436 20096714 4 18341893030151351696 21040471 1 18338516442827282022 24536 1 18195512702003692441 29004967 10 18261399944282023857 5460574 1 9223236242995240385 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 103.55 2.81 0.97 0.55 0.61 0.25 0 -0.08 0 -0.22 0 0.01 -0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 192.593 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 61.9 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 10 1 -0.85 10 0.4 2 -0.85 3 -0.56 4 -0.56 5 0.55 6 0.66 7 0.4 8 0.4 9 0.4 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 4 1 1 donor 1 2 donor 1 4 acceptor 4 1 2 3 5 cation 6 0 0 0 0 0 0 0 1 2