aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD41441 | 0.9 | 345.14 | C11H12O2N3I | Cn1nc(I)c2cc(C(=O)NCCO)ccc21 |
|
AD41442 | 0.08 | 231.24 | C10H11ON6 | O=C1CCC(CNc2ncnc3c2N=C[N]3)N1 |
|
AD41443 | -0.03 | 206.19 | C8H8O2N5 | COC(=O)CNc1ncnc2c1N=C[N]2 |
|
AD41444 | 0.03 | 231.24 | C10H11ON6 | CN1CCC(Nc2ncnc3c2N=C[N]3)C1=O |
|
AD41445 | 1.68 | 315.35 | C15H13O3N3S | Cc1ccc(S(=O)(=O)n2ncc3cc(C(N)=O)ccc32)cc1 |
|
AD41446 | 0.32 | 320.37 | C14H16O3N4S | O=C(NCCO)c1cnn2c1C(=O)N(Cc1cccs1)CC2 |
|
AD41447 | 2.12 | 290.36 | C16H22O3N2 | CC(C)(C)OC(=O)N1CCc2ccc(C(N)=O)cc2CC1 |
|
AD41448 | -0.11 | 230.21 | C10H8O2N5 | O=C1OC2CC1N(c1ncnc3c1N=C[N]3)C2 |
|
AD41449 | 0.11 | 218.2 | C9H8O2N5 | O=C1CC(Nc2ncnc3c2N=C[N]3)CO1 |
|
AD41450 | 1.56 | 288.33 | C13H12O2N4S | Cc1ccc(S(=O)(=O)n2ccc3c(N)ncnc32)cc1 |