aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42671 | 2.48 | 287.35 | C14H19ON6 | CC(NC(=O)Nc1ncnc2c1N=C[N]2)C1CCCCC1 |
|
AD42672 | 3.0 | 304.39 | C17H24O3N2 | CC(C)(C)OC(=O)N1C(C(N)=O)CCCC1c1ccccc1 |
|
AD42673 | 3.09 | 315.39 | C17H17O3NS | CC(=O)OC(Cc1ccccc1)C(=O)Nc1ccc(S)cc1 |
|
AD42674 | 1.3 | 320.34 | C14H22O4N2F2 | CC(C)(C)OC(=O)N1CC=C(CC(=O)NCCO)C(F)(F)C1 |
|
AD42675 | 2.72 | 325.33 | C16H14ON6F | O=C(Nc1nc(F)nc2c1N=C[N]2)NC1CCCc2ccccc21 |
|
AD42676 | 2.59 | 307.34 | C16H15ON6 | O=C(Nc1ncnc2c1N=C[N]2)NC1CCCc2ccccc21 |
|
AD42677 | 1.38 | 322.35 | C14H24O4N2F2 | CC(C)(C)OC(=O)N1CCC(C(F)(F)C(=O)NCCO)CC1 |
|
AD42678 | 3.06 | 362.44 | C13H8O2N5S3 | O=S(=O)(Nc1[nH]c(=S)nc2c1N=C[N]2)c1csc2ccccc12 |
|
AD42679 | 2.13 | 343.37 | C19H15ON6 | N=c1nc2c(c(N)n1C(=O)c1ccc(Cc3ccccc3)cc1)N=C[N]2 |
|
AD42680 | 2.49 | 345.36 | C19H15O2N5 | O=C(Nc1ncnc2[nH]c(=O)[nH]c12)c1ccc(Cc2ccccc2)cc1 |