aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD16841 | 4.0 | 303.32 | C18H12N4F | Fc1ccc(Nc2ncnc3c2C(c2ccccc2)=C[N]3)cc1 |
|
AD16842 | 2.15 | 250.24 | C14H8O2N3 | O=c1[nH]cnc2c1C(c1cc3ccccc3o1)=C[N]2 |
|
AD16843 | 1.71 | 239.26 | C13H11ON4 | COc1nc(N)nc2c1C(c1ccccc1)=C[N]2 |
|
AD16844 | 3.73 | 687.76 | C32H35O6N10S | Nc1nc(NCCc2ccc(CCC(=O)Nc3ccc(OC(=O)CCCCC4SCC5NC(=O)NC54)c([N+](=O)[O-])c3)cc2)nc2c1N=C[N]2 |
|
AD16845 | 1.03 | 198.21 | C10H8N5 | Nc1ncnc2c1C(c1ccc[nH]1)=C[N]2 |
|
AD16846 | 4.82 | 286.8 | C19H19OCl | CCc1ccc(Cc2ccc3c(c2Cl)OCCC3)cc1 |
|
AD16847 | 4.38 | 292.79 | C16H13O2ClS | CSc1ccc(Cc2ccc3c(c2Cl)OCO3)cc1 |
|
AD16848 | -1.47 | 198.27 | C8H18N6 | Cn1cc(CN(CCN)CCN)nn1 |
|
AD16849 | -1.23 | 821.61 | C24H34O17N5P3S2 | COP(O)(=S)OC1C2OC(C)C1(COP(O)(=S)OC1C3OC(C)C1(COP(=O)(O)O)OC3n1ccc(=O)[nH]c1=O)OC2n1cc(C)c(N)nc1=O |
|
AD16850 | 5.82 | 409.49 | C27H23O3N | O=C(NCCc1ccccc1)c1cc(O)ccc1-c1ccc(Oc2ccccc2)cc1 |