aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD34781 | -0.36 | 251.29 | C12H17O3N3 | O=C(NCCO)c1cncc(N2CCOCC2)c1 |
|
AD34782 | 1.29 | 231.25 | C12H13O2N3 | COc1ccccc1-n1nc(C(N)=O)cc1C |
|
AD34783 | -0.36 | 251.29 | C12H17O3N3 | O=C(NCCO)c1ncccc1N1CCOCC1 |
|
AD34784 | -0.34 | 245.24 | C11H11O2N5 | O=C(NCCO)c1cnc(-c2cnccn2)nc1 |
|
AD34785 | -0.01 | 232.24 | C11H12O2N4 | O=C(NCCO)c1cncn1-c1cccnc1 |
|
AD34786 | 0.05 | 246.27 | C12H14O2N4 | O=C(NCCO)c1nccn1Cc1cccnc1 |
|
AD34787 | 0.05 | 246.27 | C12H14O2N4 | O=C(NCCO)c1cn(Cc2ccncc2)cn1 |
|
AD34788 | 1.04 | 231.25 | C12H13O2N3 | COc1ccc(Cn2cnc(C(N)=O)c2)cc1 |
|
AD34789 | 0.13 | 223.23 | C10H13O3N3 | NC(=O)c1cnc(OC2CCOCC2)nc1 |
|
AD34790 | 0.76 | 216.2 | C10H8O2N4 | NC(=O)c1cnc(Oc2cccnc2)nc1 |