aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD11161 | 3.16 | 328.42 | C16H18ON5S | CCSc1nc2c(c(NCCc3cccc(OC)c3)n1)N=C[N]2 |
|
AD11162 | 3.49 | 278.4 | C13H20N5S | CCCCCCNc1nc(SCC)nc2c1N=C[N]2 |
|
AD11163 | 1.25 | 207.98 | C3H3N3I | ICC1=C[N]N=N1 |
|
AD11164 | 2.91 | 439.39 | C23H13O5N5 | N#CCC(=O)NN1C(=O)c2c(c3c4cccc(O)c4[nH]c3c3[nH]c4c(O)cccc4c23)C1=O |
|
AD11165 | 7.8 | 1529.45 | C81H79O19N9Cl2 | CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(OC3CC(C)(NCc4ccc(-c5ccc(-c6ccccc6)cc5)cc4)C(O)C(C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |
|
AD11166 | -0.06 | 135.13 | C5H5N5 | Nc1ncnc2cn[nH]c12 |
|
AD11167 | 2.57 | 372.33 | C19H16O8 | COc1cc2c(=O)c3c(oc2cc1O)C(O)Oc1cc(OC)c(OC)cc1-3 |
|
AD11168 | -0.17 | 184.57 | C6H3ON5Cl | Nc1nc2c(c(=O)[nH]1)N=C(Cl)[N]2 |
|
AD11169 | 2.53 | 258.27 | C15H14O4 | COc1ccc(CC(=O)c2ccc(O)cc2O)cc1 |
|
AD11170 | 2.92 | 356.36 | C16H25O5N2P | CCOP(=O)(Cc1ccc(NC(=O)CCCNC=O)cc1)OCC |