aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD37521 | 0.53 | 264.32 | C14H20O3N2 | O=C(NCCO)C1(Cc2cccnc2)CCOCC1 |
|
AD37522 | 1.95 | 245.31 | C12H11ON3S | O=C(Cc1cncnc1)Nc1ccc(S)cc1 |
|
AD37523 | 1.59 | 256.3 | C15H16O2N2 | Cc1ccc(C(=O)c2ccc(CC(N)=O)n2C)cc1 |
|
AD37524 | 0.81 | 254.23 | C8H9O2N2F3S | O=C(Cc1csc(C(F)(F)F)n1)NCCO |
|
AD37525 | 1.95 | 245.31 | C12H11ON3S | O=C(Cc1ncccn1)Nc1ccc(S)cc1 |
|
AD37526 | 1.68 | 262.34 | C12H14ON4S | Cn1cnnc1CCC(=O)Nc1ccc(S)cc1 |
|
AD37527 | 1.69 | 254.29 | C15H14O2N2 | NC(=O)C1CCn2c(C(=O)c3ccccc3)ccc21 |
|
AD37528 | 2.39 | 260.32 | C13H12O2N2S | O=C(COc1ccccn1)Nc1ccc(S)cc1 |
|
AD37529 | 2.57 | 259.33 | C14H13O2NS | CC(C(N)=O)c1ccc(C(=O)c2cccs2)cc1 |
|
AD37530 | 1.91 | 255.49 | C10H5O2N2Cl3 | NC(=O)COc1nc(Cl)c(Cl)cc1Cl |