aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD19771 | 2.33 | 258.69 | C13H9N5Cl | Clc1nc2c(c(NCc3ccccc3)n1)C=N[N]2 |
|
AD19772 | 1.74 | 267.03 | C7H5O2N2F2Br | O=c1nc(OC(F)F)c(C=CBr)c[nH]1 |
|
AD19773 | 3.33 | 322.39 | C18H20ON5 | C1=Nc2c(ncnc2NC2CCCCC2OCc2ccccc2)[N]1 |
|
AD19774 | -8.02 | 722.76 | C29H46O10N12 | Cc1cn(CC(=O)N(CCN)CC(=O)NCCN(CC(=O)NCCNC2C(O)C(N)CC(N)C2O)C(=O)Cn2ccc(=O)[nH]c2=O)c(=O)[nH]c1=O |
|
AD19775 | 2.11 | 388.42 | C21H24O7 | CC1=CC(=O)c2cc(C(O)C(C)C(=O)OC3CCC(O)OC3C)ccc2C1=O |
|
AD19776 | -0.12 | 981.22 | C49H88O19 | CCC(O)C(C)C(O)C(C)C(O)C(C)C1OC(=O)C=CC(C)C(O)CC(O)CCCC(O)CCC(C)C(O)C(=O)C2(O)OC(CC(O)CC(O)CC(O)CCCC(O)C3OC3C1C)CC(O)C2O |
|
AD19777 | -0.35 | 136.11 | C5H4ON4 | O=c1nc[nH]c2c[nH]nc12 |
|
AD19778 | -1.04 | 135.11 | C5H3ON4 | O=C1N=CN=C2[N]NC=C12 |
|
AD19779 | 0.29 | 186.04 | C7H9O2NCl2 | CC(O)CNC(=O)C(Cl)Cl |
|
AD19780 | 0.82 | 270.25 | C12H10O2N6 | Nc1c2c(nc[n+]1Cc1ccccc1[N+](=O)[O-])[N]C=N2 |