aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40741 | 1.02 | 227.33 | C12H23O2N2 | CC(C)(C)OC(=O)N1CC2(CCC([NH3+])C2)C1 |
|
AD40742 | 0.87 | 227.33 | C12H23O2N2 | CC(C)(C)OC(=O)N1CC2CC([NH3+])CC2C1 |
|
AD40743 | 0.66 | 233.34 | C14H21ON2 | [NH3+]C1CC2COCC(C1)N2Cc1ccccc1 |
|
AD40744 | 1.02 | 215.32 | C11H23O2N2 | CC1CC([NH3+])CCN1C(=O)OC(C)(C)C |
|
AD40745 | -0.18 | 329.38 | C13H19O5N3S | O=C(Nc1ccc(S(=O)(=O)NCCO)cc1)N1CCOCC1 |
|
AD40746 | 1.23 | 303.39 | C10H9O4NS3 | NS(=O)(=O)c1cc(S(=O)(=O)c2ccccc2)cs1 |
|
AD40747 | -0.94 | 147.16 | C3H5O2N3S | NS(=O)(=O)c1cn[nH]c1 |
|
AD40748 | 0.66 | 340.82 | C13H15ON7ClS | S=C(NCCN1CCOCC1)Nc1nc(Cl)nc2c1N=C[N]2 |
|
AD40749 | 0.61 | 323.38 | C13H16ON6FS | FC1=C[N]c2ncnc(NC(=S)NCCN3CCOCC3)c21 |
|
AD40750 | 0.91 | 333.14 | C7H6N6SI | CNC(=S)Nc1nc(I)nc2c1N=C[N]2 |