aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD31631 | 0.54 | 198.66 | C9H11N4Cl | Clc1nccnc1N1CCNCC1 |
|
AD31632 | -0.4 | 184.24 | C9H16O2N2 | O=C(C1CCCO1)N1CCNCC1 |
|
AD31633 | 0.56 | 185.25 | C7H11ON3S | Nc1csc(N2CCOCC2)n1 |
|
AD31634 | 1.22 | 175.19 | C9H9ON3 | COc1nc(N)cc2cccnc12 |
|
AD31635 | 0.24 | 197.19 | C8H11O3N3 | CCOC(=O)c1cnc(OC)nc1N |
|
AD31636 | 0.89 | 201.61 | C8H8O2N3Cl | CCOC(=O)c1ncnc(Cl)c1N |
|
AD31637 | 0.5 | 193.25 | C10H15ON3 | Nc1ccc(CN2CCOCC2)cn1 |
|
AD31638 | 1.26 | 190.18 | C9H7N4F | Nc1ncnc(-c2cccc(F)c2)n1 |
|
AD31639 | 1.24 | 192.22 | C10H12O2N2 | CCOC(=O)C=Cc1cccnc1N |
|
AD31640 | 1.16 | 192.22 | C10H12O2N2 | COC(=O)C=Cc1cc(C)cnc1N |