aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD21691 | 2.54 | 377.45 | C19H17ON6S | Nc1ncnc2c1N=C(SCC(=O)NCCc1ccc3ccccc3c1)[N]2 |
|
AD21692 | 1.77 | 233.22 | C12H11O4N | CC(=O)Nc1cc2ccc(O)c(C)c2oc1=O |
|
AD21693 | 11.18 | 708.17 | C44H85O5N | CCCCCCCCC=CCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCC=CCCCCCCCCC |
|
AD21694 | 4.28 | 299.36 | C10HN2Cl3Br | Clc1cc2c(c(Cl)c1Cl)N=C(Br)[N]2 |
|
AD21695 | 0.64 | 373.43 | C14H16O4N3FS2 | OCC1OC(SS)C(O)C(n2cc(-c3cccc(F)c3)nn2)C1O |
|
AD21696 | 10.0 | 524.79 | C34H52O4 | CCCCCCCCCCCCCCCCCCOc1cc(C)c(C(=O)OC)c(OCc2ccccc2)c1 |
|
AD21697 | -0.03 | 481.34 | C15H25O9N5P2 | Nc1ncnc2c(CN3CC(COP(=O)(O)O)C(OP(=O)(O)OCCCO)C3)c[nH]c12 |
|
AD21698 | -1.32 | 193.15 | C6H5O2N6 | N=C(NO)C1=N[N]c2nc[nH]c(=O)c21 |
|
AD21699 | 3.58 | 375.25 | C15H11ON4SBr | Oc1ccc(Br)cc1C=Nn1c(S)nnc1-c1ccccc1 |
|
AD21700 | 6.68 | 500.76 | C32H52O4 | CC1(C)CCC2(C(=O)OCCO)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 |