aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD41961 | 1.18 | 356.16 | C11H12O3N6Br | CCOC(=O)CCNC(=O)Nc1ncnc2c1N=C(Br)[N]2 |
|
AD41962 | -0.39 | 160.17 | C6H12O3N2 | CCOC(=O)CCNC(N)=O |
|
AD41963 | 1.5 | 325.74 | C13H14O3N6Cl | CCCCOC(=O)CNC(=O)Nc1nc(Cl)nc2c1N=C[N]2 |
|
AD41964 | 2.13 | 294.11 | C11H8O2N3Br | NC(=O)c1ccc(Oc2ncc(Br)cn2)cc1 |
|
AD41965 | 0.77 | 342.4 | C18H22O3N4 | O=C(NCCO)c1cncnc1C1CN(Cc2ccccc2)CCO1 |
|
AD41966 | 1.78 | 301.53 | C10H6ON4ClBr | NC(=O)c1cc(Br)nn1-c1ncccc1Cl |
|
AD41967 | 2.52 | 319.37 | C18H17ON5 | NC(=O)c1cc(-c2cnc(-c3cccnc3)nc2)cn1CC1CC1 |
|
AD41968 | 1.14 | 329.4 | C17H23O2N5 | CN(C)c1ncc(-c2cc(C(=O)NCCO)n(CC3CC3)c2)cn1 |
|
AD41969 | 0.8 | 315.38 | C16H21O2N5 | Cn1cc(-c2cnc(N3CCCC3)nc2)cc1C(=O)NCCO |
|
AD41970 | 2.03 | 291.33 | C13H13O3N3S | COc1cc(C(=O)Nc2ccc(S)cc2)c(OC)nn1 |