4096 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 15 8 8 7 6 6 1 1 1 1 1 1 1 1 1 1 2 2 2 3 5 5 6 6 6 7 7 7 2 6 3 4 5 7 8 9 10 11 12 13 14 15 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 3 4 5 3 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 1.4095 -0.3111 -0.9811 0.1007 -1.4216 2.5636 -1.3601 -1.1308 -2.338 3.4835 2.1177 2.8058 -1.9668 -1.9514 -0.4711 0.0064 -0.5624 0.7547 -1.5453 -1.1495 0.6303 1.8659 -1.9393 -1.3985 0.9634 1.4734 -0.1586 1.5458 2.5473 2.394 1.0296 -0.0517 -0.7371 -1.1209 1.0317 -0.2083 0.0567 1.6063 0.6618 0.2786 -0.7417 -0.9246 0.9072 -0.5601 0.4089 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000100000000002 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 2.0404 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 0 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 137420 1 12128240216536457857 16714656 1 18269840985258526030 20096714 4 18192977232580038328 21040471 1 18127389203656802600 24536 1 17606369212276287410 5084963 1 17902481853758540368 5943 1 13865338695885055403 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 135.04 2.59 1.72 1.12 1.6 0.25 0.08 0.97 0.15 -0.89 -0.16 0.04 -0.33 0.14 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 210.766 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 98.4 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 2 8 1 7 6 4 5 9 3 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 9 1 -0.48 2 1.49 3 -0.55 4 -0.7 5 -0.99 6 0.23 7 0.28 8 0.36 9 0.36 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 0 7 1 0 1 0 0 0 0 1 2