aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD15551 | 3.0 | 290.35 | C17H16N5 | CC(C)(C)c1ccc(C2=C(C#N)c3c(N)ncnc3[N]2)cc1 |
|
AD15552 | 1.19 | 279.3 | C13H17O4N3 | O=C(O)CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 |
|
AD15553 | 0.0 | 176.16 | C6H6N7 | C=NNc1nc(N)c2c(n1)[N]C=N2 |
|
AD15554 | 3.61 | 271.29 | C16H14O2NF | COc1ccc(Cc2c[nH]c3cccc(O)c23)cc1F |
|
AD15555 | 3.22 | 421.15 | C10H8O2NF13 | O=C(NCCCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
|
AD15556 | 2.49 | 262.26 | C14H14O5 | COc1cc(-c2ccc(O)c(O)c2)cc(OC)c1O |
|
AD15557 | 4.18 | 340.48 | C18H22N5S | CCCCCCNC1=Nc2c(ncnc2SCc2ccccc2)[N]1 |
|
AD15558 | 5.1 | 506.77 | C31H54O5 | COC(C)(C)C=CC(O)C(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CC(O)C12C |
|
AD15559 | 0.41 | 250.23 | C9H19O4N2P | COP(=O)(N1CCOCC1)N1CCOCC1 |
|
AD15560 | -0.64 | 192.16 | C7H6O2N5 | O=c1ccn(CC2=C[N]N=N2)c(=O)[nH]1 |