aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05051 | 3.67 | 252.27 | C15H12O2N2 | O=[N+]([O-])c1cccc2[nH]cc(Cc3ccccc3)c12 |
|
AD05052 | 2.84 | 502.46 | C24H29O4N3Cl2S | CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCOCCN)c2)C1 |
|
AD05053 | 5.87 | 377.87 | C24H20O2NCl | Clc1cccc2[nH]cc(Cc3ccc(OCCOc4ccccc4)cc3)c12 |
|
AD05054 | 4.15 | 617.74 | C36H43O8N | CC(OC(=O)c1cccnc1)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C |
|
AD05055 | -1.12 | 153.14 | C6H7O2N3 | Cn1ccc(=O)c(C(N)=O)n1 |
|
AD05056 | -0.99 | 157.1 | C5H4O2N3F | NC(=O)c1nc(F)c[nH]c1=O |
|
AD05057 | 0.51 | 226.3 | C10H14O2N2S | CNS(=O)(=O)N1CCc2ccccc2C1 |
|
AD05058 | -0.22 | 169.07 | C3H8O5NP | CC(NC(=O)O)P(=O)(O)O |
|
AD05059 | 5.46 | 451.47 | C26H23O4NF2 | CC(=O)OC(CCC1C(=O)N(c2ccc(F)cc2)C1c1ccc(O)cc1)c1ccc(F)cc1 |
|
AD05060 | 7.37 | 675.88 | C39H49O2N9 | CN1CCN(c2ccc3nc(-c4ccc5nc(-c6ccc(OCCCCCCCCCCOCc7cn(C)nn7)cc6)[nH]c5c4)[nH]c3c2)CC1 |