aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD41661 | 0.08 | 219.18 | C9H7O3N4 | O=C1CC(Oc2ncnc3c2N=C[N]3)CO1 |
|
AD41662 | 0.06 | 221.2 | C9H9O3N4 | CC(O)CC(=O)Oc1ncnc2c1N=C[N]2 |
|
AD41663 | 0.08 | 219.18 | C9H7O3N4 | O=C1OCCC1Oc1ncnc2c1N=C[N]2 |
|
AD41664 | 0.08 | 204.21 | C9H10ON5 | CN1CC(Oc2ncnc3c2N=C[N]3)C1 |
|
AD41665 | 0.0 | 232.22 | C10H10O2N5 | CC(=O)N1CC(Oc2ncnc3c2N=C[N]3)C1 |
|
AD41666 | -0.34 | 231.17 | C9H5O3N5 | O=c1[nH]cc(-c2cnc3nonc3c2)c(=O)[nH]1 |
|
AD41667 | -0.29 | 204.19 | C9H8O2N4 | Nc1ccc(-c2c[nH]c(=O)[nH]c2=O)cn1 |
|
AD41668 | 2.31 | 297.38 | C13H19O3N3S | CC(C)(C)OC(=O)N1CCCC1c1nc(C(N)=O)cs1 |
|
AD41669 | 0.55 | 310.07 | C8H8O2N2FI | O=C(NCCO)c1c(I)ccnc1F |
|
AD41670 | 1.13 | 312.33 | C16H16O3N4 | COc1ccc(-c2nnc3c(C(=O)NCCO)cccn23)cc1 |