aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD16401 | 5.7 | 510.5 | C22H32O2N5SBr | Nc1nc(OCc2cc(Br)cs2)c2ncn(CCCCCCCCCCCCO)c2n1 |
|
AD16402 | 3.98 | 381.47 | C23H27O4N | CC=CC1=CC2=CC3=C(C(=O)CCCCCCC)C(=O)OC3(C)C(=O)C2=CN1 |
|
AD16403 | 2.86 | 264.31 | C15H14N5 | CCC1=Nc2c(ncnc2N2CCc3ccccc32)[N]1 |
|
AD16404 | 2.59 | 300.27 | C16H12O6 | COc1cc(-c2coc3c(O)c(O)ccc3c2=O)ccc1O |
|
AD16405 | -1.98 | 152.17 | C3H8O3N2S | CS(=O)(=O)NC(=O)CN |
|
AD16406 | 5.16 | 280.41 | C20H24O | c1ccc2c(c1)CCCCCCCOc1ccc(cc1)C2 |
|
AD16407 | 6.41 | 680.14 | C37H26O7N3ClS | O=C(NCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)c1ccc(-c2ccc(O)c(Cl)c2)cc1 |
|
AD16408 | 4.12 | 266.8 | C14H15N2ClS | CCCCc1nnc(Cc2ccccc2Cl)s1 |
|
AD16409 | -2.48 | 393.39 | C16H27O10N | CC(=O)CCCOC1(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1 |
|
AD16410 | -1.2 | 129.17 | C4H11N5 | CCNC(N)=NC(=N)N |