aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD41651 | 3.07 | 308.34 | C14H23O2N2F3 | CC(C)(C)OC(=O)N1CCC2(CCC(C(F)(F)F)N2)CC1 |
|
AD41652 | 2.52 | 291.15 | C12H11N4Br | Nc1nccc(N2CCc3ccc(Br)cc32)n1 |
|
AD41653 | 2.13 | 282.41 | C14H22O2N2S | Cc1nc(COCC2CCCC23CNCCO3)cs1 |
|
AD41654 | 2.87 | 296.37 | C18H20O2N2 | Cc1ccc2c(c1)C1(CCNCC1)CN2C(=O)c1ccco1 |
|
AD41655 | 0.92 | 345.1 | C9H8O2N5I | CC(I)=CC(=O)Nc1ncnc2[nH]c(=O)[nH]c12 |
|
AD41656 | 1.8 | 346.08 | C9H6ON5FI | CC(I)=CC(=O)Nc1nc(F)nc2c1N=C[N]2 |
|
AD41657 | 0.83 | 343.11 | C9H8ON6I | CC(I)=CC(=O)n1c(N)c2c(nc1=N)[N]C=N2 |
|
AD41658 | 0.16 | 191.17 | C8H7O2N4 | C1=Nc2c(ncnc2OC2COC2)[N]1 |
|
AD41659 | 0.06 | 221.2 | C9H9O3N4 | CCC(O)C(=O)Oc1ncnc2c1N=C[N]2 |
|
AD41660 | -0.33 | 207.17 | C8H7O3N4 | CC(O)C(=O)Oc1ncnc2c1N=C[N]2 |