7963 1 2 3 4 5 6 7 8 9 10 11 12 13 14 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 4 5 5 5 6 7 6 7 3 4 5 6 8 7 9 10 11 12 13 14 2 1 2 1 1 1 1 2 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 14 -1.8145 0.9808 0.2827 0.2828 2.4718 -1.1018 -1.1017 0.7953 0.7954 2.8668 2.8669 2.8474 -1.693 -1.6929 0 0 1.2026 -1.2026 0 1.1488 -1.1488 2.1585 -2.1585 -0.8802 0.8808 -0.0006 2.0587 -2.0587 0.0001 -0.0002 0 -0.0001 0.0002 0 0 0.0017 0.0016 -0.5183 -0.5174 1.0282 0.0007 0.0008 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001F1B00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 15.9841 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.148 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 16714656 1 18410578387703919702 18185500 45 18335699485383733770 20096714 4 18266742376591575218 21040471 1 18266458702639211684 23552423 10 18260554390076452622 29004967 10 18261682548703186698 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 139.08 2.4 1.42 0.6 1.03 0 0 0 0 -0.34 0 0.02 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 283.758 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 80.6 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 11 1 -0.62 13 0.15 14 0.15 2 -0.14 3 -0.15 4 -0.15 5 0.14 6 0.16 7 0.16 8 0.15 9 0.15 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 2 1 1 acceptor 6 1 2 3 4 6 7 rings 7 0 0 0 0 0 0 0 1 1