aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD41711 | 0.57 | 348.41 | C15H18O3N5S | NC(=O)C1=C(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)[N]C=N1 |
|
AD41712 | 2.16 | 334.4 | C16H18O4N2S | O=S(=O)(c1ccc(Nc2ccc(O)cc2)cc1)N1CCOCC1 |
|
AD41713 | 0.18 | 334.38 | C14H16O3N5S | NC(=O)C1=C(Nc2ccc(S(=O)(=O)N3CCCC3)cc2)[N]C=N1 |
|
AD41714 | -0.9 | 238.25 | C10H14O3N4 | CN1CC(Nc2c[nH]c(=O)[nH]c2=O)CCC1=O |
|
AD41715 | 1.55 | 320.13 | C11H8ON6Br | Cn1cc(Nc2ncnc3c2N=C(Br)[N]3)ccc1=O |
|
AD41716 | 2.25 | 304.42 | C15H20ON4S | Sc1ccc(Nc2cnn(CCN3CCOCC3)c2)cc1 |
|
AD41717 | 2.35 | 288.38 | C14H16ON4S | Sc1ccc(Nc2cnc(N3CCOCC3)nc2)cc1 |
|
AD41718 | 0.18 | 334.38 | C14H16O3N5S | NC(=O)C1=C(Nc2cccc(S(=O)(=O)N3CCCC3)c2)[N]C=N1 |
|
AD41719 | -0.53 | 219.2 | C9H9O2N5 | O=c1[nH]cc(NCc2cncnc2)c(=O)[nH]1 |
|
AD41720 | 2.16 | 334.4 | C16H18O4N2S | O=S(=O)(c1cccc(Nc2ccc(O)cc2)c1)N1CCOCC1 |