aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40451 | -1.54 | 226.24 | C9H14O3N4 | O=c1[nH]cc(NCC2COCCN2)c(=O)[nH]1 |
|
AD40452 | -1.47 | 214.22 | C8H14O3N4 | CCC(N)(CO)Nc1c[nH]c(=O)[nH]c1=O |
|
AD40453 | 1.67 | 275.4 | C16H25ON3 | COCC1CC2(CCNCC2)CN1Cc1ccccn1 |
|
AD40454 | 0.57 | 313.4 | C15H27O4N3 | CN1CC(C(N)=O)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 |
|
AD40455 | 0.28 | 233.33 | C14H21ON2 | Cc1ccccc1C[NH+]1CCCC(C(N)=O)C1 |
|
AD40456 | -0.94 | 147.16 | C3H5O2N3S | NS(=O)(=O)c1ncc[nH]1 |
|
AD40457 | 1.3 | 298.18 | C12H16ON3Br | CN1CCN(c2cc(Br)ccc2C(N)=O)CC1 |
|
AD40458 | 0.88 | 350.12 | C7H5O2N5SI | C=CS(=O)(=O)Nc1nc(I)nc2c1N=C[N]2 |
|
AD40459 | 1.37 | 308.31 | C13H12O5N2S | COC(=O)c1cncc(S(=O)(=O)Nc2ccc(O)cc2)c1 |
|
AD40460 | -0.59 | 352.42 | C15H20O4N4S | Cc1ccc(S(=O)(=O)n2cnc(CC(N)C(=O)NCCO)c2)cc1 |