aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42711 | 2.04 | 257.4 | C14H29O2N2 | CC(C)(C)OC(=O)N1CCC([NH3+])CC1C(C)(C)C |
|
AD42712 | 2.72 | 255.18 | C12H17NBr | [NH3+]C1CCC(c2ccc(Br)cc2)CC1 |
|
AD42713 | 3.06 | 314.41 | C17H18O2N2S | O=C(Nc1ccc(S)cc1)c1cccc(N2CCOCC2)c1 |
|
AD42714 | 2.5 | 357.16 | C9H6N6SI | Cc1ncc(Nc2nc(I)nc3c2N=C[N]3)s1 |
|
AD42715 | 3.06 | 328.44 | C18H20O2N2S | O=C(Nc1ccc(S)cc1)c1ccccc1CN1CCOCC1 |
|
AD42716 | 2.93 | 350.13 | C12H7ON6FBr | O=C(Nc1cccc(Br)c1)Nc1nc(F)nc2c1N=C[N]2 |
|
AD42717 | 3.37 | 328.44 | C18H20O2N2S | Cc1c(C(=O)Nc2ccc(S)cc2)cccc1N1CCOCC1 |
|
AD42718 | 1.17 | 327.45 | C16H25O4NS | CC(C)(C)S(=O)(=O)CC(Cc1ccccc1)C(=O)NCCO |
|
AD42719 | 3.31 | 334.44 | C17H22O3N2S | CC(C)(C)OC(=O)N1CCC2CC21C(=O)Nc1ccc(S)cc1 |
|
AD42720 | 2.52 | 352.4 | C17H14O2N5S | O=S(=O)(CCc1cccc2ccccc12)Nc1ncnc2c1N=C[N]2 |