aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40981 | 0.37 | 356.17 | C11H13N6I | C[NH+]1CCCC(=Nc2nc(I)nc3c2N=C[N]3)C1 |
|
AD40982 | 0.84 | 302.43 | C15H20N5S | C[NH+]1CCN(c2ncc(Nc3ccc(S)cc3)cn2)CC1 |
|
AD40983 | 1.01 | 318.38 | C16H22O3N4 | CCOC(=O)C1CCC(O)(CNc2[nH+]cnc3c2C=C[N]3)CC1 |
|
AD40984 | 0.9 | 333.39 | C16H23O3N5 | CC(C)(C)OC(=O)N1CCC(O)(CNc2[nH+]cnc3c2C=C[N]3)C1 |
|
AD40985 | -0.59 | 148.23 | C7H18O2N | CCCCOCC(O)C[NH3+] |
|
AD40986 | -0.99 | 134.2 | C6H16O2N | CC(C)OCC(O)C[NH3+] |
|
AD40987 | -0.6 | 148.23 | C7H18O2N | CC(C)(C)OCC(O)C[NH3+] |
|
AD40988 | 1.02 | 326.36 | C17H18O3N4 | CC(O)(CNc1[nH+]cnc2c1C=C[N]2)C(=O)OCc1ccccc1 |
|
AD40989 | 0.17 | 312.43 | C16H30O3N3 | CC(C)(C)OC(=O)N1CCC([NH+]2CCCC(C(N)=O)C2)CC1 |
|
AD40990 | -0.54 | 159.21 | C7H15O2N2 | CCOC(=O)N1CCC([NH3+])C1 |