aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD41431 | 2.16 | 308.34 | C18H16O3N2 | COc1ccc(Cn2cc(C(N)=O)c(=O)c3ccccc32)cc1 |
|
AD41432 | 1.1 | 321.38 | C16H23O4N3 | CC(C)(C)OC(=O)N1CCc2nc(C(=O)NCCO)ccc2C1 |
|
AD41433 | 2.18 | 293.33 | C17H15O2N3 | CCn1cc(C(N)=O)c(=O)c2ccc(-c3ccncc3)cc21 |
|
AD41434 | 2.18 | 299.36 | C15H13O2N3S | Cn1cc(C(=O)Nc2ccc(S)cc2)c(=O)c2cccn21 |
|
AD41435 | 0.8 | 321.34 | C14H19O4N5 | CC(C)(C)OC(=O)Nc1nn2cccnc2c1C(=O)NCCO |
|
AD41436 | 2.53 | 308.34 | C18H16O3N2 | CN(Cc1ccccc1)c1ccc2cc(C(N)=O)c(=O)oc2c1 |
|
AD41437 | 0.5 | 310.31 | C16H14O3N4 | O=C(NCCO)c1nn(-c2ccccc2)c(=O)c2ncccc12 |
|
AD41438 | -0.18 | 217.21 | C9H9ON6 | NC(=O)C1(Nc2ncnc3c2N=C[N]3)CC1 |
|
AD41439 | 0.89 | 331.11 | C10H10O2N3I | O=C(NCCO)c1ccnc2c(I)c[nH]c12 |
|
AD41440 | 2.28 | 300.34 | C14H12O2N4S | COc1cccn2c(C(=O)Nc3ccc(S)cc3)nnc12 |