aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD16821 | 3.62 | 240.3 | C16H16O2 | Cc1ccc(Cc2ccc3c(c2C)OCO3)cc1 |
|
AD16822 | 2.22 | 207.64 | C10H8N4Cl | Clc1cc(NC2CC2)c2c(n1)[N]C=N2 |
|
AD16823 | 1.11 | 167.18 | C9H10ONF | O=CNCCc1ccc(F)cc1 |
|
AD16824 | 2.42 | 215.26 | C10H7N4S | Cc1ccsc1-c1ncnc2c1N=C[N]2 |
|
AD16825 | 2.22 | 229.29 | C11H9N4S | CNc1ncnc2c1C(c1cccs1)=C[N]2 |
|
AD16826 | 2.36 | 210.23 | C14H10O2 | COC(=O)c1ccc2c(c1)=c1ccccc1=2 |
|
AD16827 | 3.89 | 310.41 | C16H16N5S | C1=Nc2c(nc(Sc3ccccc3)nc2NC2CCCC2)[N]1 |
|
AD16828 | -7.09 | 813.91 | C33H59O11N13 | CNC(=O)CCC(NC(=O)C(CO)NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)CCCNC(=N)N)C(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CO)C(N)=O |
|
AD16829 | 4.55 | 323.13 | C16H8O3N2Cl2 | O=[N+]([O-])c1ccc2c(ccn2-c2cc(Cl)c(O)c(Cl)c2)c1 |
|
AD16830 | 2.58 | 252.3 | C14H14N5 | CC(c1ccccc1)N(C)c1ncnc2c1N=C[N]2 |