aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40301 | 3.11 | 262.36 | C18H18N2 | N#CC(c1ccccc1)(c1ccccc1)C1CCNC1 |
|
AD40302 | 2.09 | 263.1 | C10H7N4Br | N#Cc1cnn(-c2ccccc2Br)c1N |
|
AD40303 | 2.18 | 250.32 | C12H14O2N2S | CCOC(=O)C1CCCc2sc(N)c(C#N)c21 |
|
AD40304 | 2.1 | 300.08 | C8H7N5I | CC(C)=Nc1nc(I)nc2c1N=C[N]2 |
|
AD40305 | 1.05 | 284.36 | C14H24O4N2 | C=C1CN(C(=O)OC(C)(C)C)C(C)(C(=O)NCCO)C1 |
|
AD40306 | 1.02 | 287.36 | C16H21O2N3 | N#Cc1ccccc1CN1CCCCC1C(=O)NCCO |
|
AD40307 | 0.89 | 296.37 | C15H24O4N2 | C#CCC1(C(=O)NCCO)CCCN1C(=O)OC(C)(C)C |
|
AD40308 | 1.91 | 307.34 | C16H15ON6 | COCCN(Cc1ccc(C#N)cc1)c1ncnc2c1N=C[N]2 |
|
AD40309 | 2.65 | 267.74 | C13H10O2NClS | NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1 |
|
AD40310 | 1.9 | 310.38 | C11H12O2N5S2 | C=CCC1(S(=O)(=O)Nc2[nH]c(=S)nc3c2N=C[N]3)CC1 |