aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD36821 | 1.5 | 238.25 | C13H10ON4 | NC(=O)c1ccc2nc(-c3ccccc3)nn2c1 |
|
AD36822 | 1.2 | 267.27 | C13H11ON6 | CNC(=O)c1cc(Nc2ncnc3c2C=C[N]3)ccn1 |
|
AD36823 | -1.29 | 265.32 | C12H19O2N5 | O=C(CN1CCN(c2ncccn2)CC1)NCCO |
|
AD36824 | 0.06 | 262.11 | C8H12O2N3Br | Cc1nn(CC(=O)NCCO)cc1Br |
|
AD36825 | -0.4 | 255.3 | C10H13O3N3S | O=C(NCCO)C1CC(=O)N(c2nccs2)C1 |
|
AD36826 | -0.29 | 263.3 | C13H17O3N3 | CN1C(=O)CC(C(=O)NCCO)C1c1cccnc1 |
|
AD36827 | 0.11 | 264.33 | C13H20O2N4 | Cc1cc(N2CCC(C(=O)NCCO)CC2)ncn1 |
|
AD36828 | 0.83 | 240.69 | C11H13ON4Cl | NC(=O)C1CCN(c2cc(Cl)ncn2)CC1 |
|
AD36829 | -0.27 | 276.09 | C8H10O3N3Br | O=C(COc1ncc(Br)cn1)NCCO |
|
AD36830 | 1.0 | 244.09 | C8H10ON3Br | CC(C)(C(N)=O)c1ncc(Br)cn1 |