aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40621 | 0.73 | 277.36 | C13H27O5N | CC(C)(C)OC(=O)CCOCCOCCOCCN |
|
AD40622 | 1.63 | 276.16 | C9H10O2NSBr | NC1CCS(=O)(=O)c2ccc(Br)cc21 |
|
AD40623 | 1.96 | 279.38 | C15H25O2N3 | CC(C)(C)OC(=O)N1CC(N)=CC=C1C1CCNCC1 |
|
AD40624 | 1.43 | 280.35 | C12H16O2N4S | CCOC(=O)c1cn2nc(C3CCCNC3)sc2n1 |
|
AD40625 | 0.62 | 285.47 | C6H5ON3ClI | Cn1nc(Cl)c(I)c(N)c1=O |
|
AD40626 | 1.66 | 277.06 | C8H8O2NI | COC(=O)c1ccc(I)c(N)c1 |
|
AD40627 | -0.17 | 293.39 | C11H23O4N3S | CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCN)CC1 |
|
AD40628 | 1.79 | 296.33 | C16H16O2N4 | Nc1ccc2c(c1)C1(CCOCC1)C(=O)N2c1cncnc1 |
|
AD40629 | 0.93 | 284.73 | C11H9O2N4ClS | Nc1ccc(S(=O)(=O)N=c2cncc(Cl)[nH]2)cc1 |
|
AD40630 | 1.63 | 282.35 | C16H18ON4 | Nc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1 |