aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD36601 | 0.44 | 271.3 | C13H15ON6 | O=C(C1CC1)N1CCN(c2ncnc3c2N=C[N]3)CC1 |
|
AD36602 | 0.85 | 277.33 | C11H13ON6S | S=C(NCC1CCCO1)Nc1ncnc2c1N=C[N]2 |
|
AD36603 | 1.03 | 249.32 | C12H19ON5 | CCC1C(=O)N(C)c2cnc(N)nc2N1C(C)C |
|
AD36604 | 1.14 | 252.27 | C12H16O4N2 | COC(=O)C=Cc1ccnc(N)c1C(OC)OC |
|
AD36605 | 0.93 | 259.67 | C11H11O2N3FCl | Nc1nc(Cl)c(F)cc1C(=O)N1CCOCC1 |
|
AD36606 | 1.23 | 250.3 | C12H18O2N4 | CCOC(=O)c1cnc(N2CCCCC2)nc1N |
|
AD36607 | -0.4 | 256.33 | C10H16O2N4S | CN1CCN(S(=O)(=O)c2ccc(N)nc2)CC1 |
|
AD36608 | 0.27 | 253.26 | C11H15O4N3 | CCOC(=O)C(C(=O)OCC)c1ccnc(N)n1 |
|
AD36609 | 0.82 | 249.72 | C9H12O2N3ClS | CCc1c(N)nc(CS(C)(=O)=O)nc1Cl |
|
AD36610 | 1.26 | 258.12 | C9H12ON3Br | Nc1cc(Br)cnc1N1CCOCC1 |