aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD19301 | -0.7 | 265.23 | C10H11O4N5 | COC(=O)CCC(=O)n1cnc2c(=O)[nH]c(N)nc21 |
|
AD19302 | 5.04 | 252.74 | C18H13Cl | Clc1ccccc1Cc1cc2cccccc-2c1 |
|
AD19303 | 2.57 | 342.4 | C16H16O2N5S | O=S(=O)(c1ccccc1)c1nc2c(c(NC3CCCC3)n1)N=C[N]2 |
|
AD19304 | -0.65 | 111.1 | C4H5ON3 | Nc1nccc(=O)[nH]1 |
|
AD19305 | 1.52 | 267.32 | C14H15N6 | Nc1ncnc2c1N=C(NCCCc1ccccc1)[N]2 |
|
AD19306 | -0.74 | 196.22 | C6H6ON5S | Nc1nc2c(c([S+](N)[O-])n1)C=C[N]2 |
|
AD19307 | 1.04 | 162.19 | C10H10O2 | COc1ccc(C#CCO)cc1 |
|
AD19308 | 3.15 | 242.27 | C15H14O3 | COC(=O)c1cccc(-c2ccc(O)c(C)c2)c1 |
|
AD19309 | 2.49 | 262.26 | C14H14O5 | COc1cc(-c2cccc(O)c2O)cc(OC)c1O |
|
AD19310 | 4.51 | 495.81 | C22H24O3N4ClBr | CC(C)N1CCC(C(=O)Nc2c(O)cc(Br)cc2C(=O)Nc2ccc(Cl)cn2)CC1 |