aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40691 | -0.3 | 308.07 | C8H9O3N2I | O=C(NCCO)c1cc(I)c[nH]c1=O |
|
AD40692 | 1.53 | 316.38 | C16H16O3N2S | NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 |
|
AD40693 | -0.06 | 297.38 | C13H19O3N3S | CN1CCN(c2cc(S(C)(=O)=O)ccc2C(N)=O)CC1 |
|
AD40694 | 0.63 | 307.35 | C14H21O3N5 | CC(C)(C)OC(=O)N1CCN(c2cnc(C(N)=O)cn2)CC1 |
|
AD40695 | -0.44 | 341.43 | C15H23O4N3S | CN1CCN(c2cc(S(C)(=O)=O)ccc2C(=O)NCCO)CC1 |
|
AD40696 | 1.3 | 312.4 | C13H20O3N4S | CC(C)(C)OC(=O)N1CCN(c2nc(C(N)=O)cs2)CC1 |
|
AD40697 | 0.62 | 291.33 | C13H13O3N3S | Cn1cc(C(=O)Nc2ccc(S)cc2)c(=O)n(C)c1=O |
|
AD40698 | 1.24 | 306.37 | C15H22O3N4 | CC(C)(C)OC(=O)N1CCN(c2ncccc2C(N)=O)CC1 |
|
AD40699 | -0.41 | 330.36 | C13H18O6N2S | COC(=O)c1cc(C(=O)NCCO)cc(N(C)S(C)(=O)=O)c1 |
|
AD40700 | 0.57 | 344.17 | C9H8O2N6SBr | COC(=O)CNC(=S)Nc1ncnc2c1N=C(Br)[N]2 |