aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD38091 | 1.55 | 277.33 | C12H13O2N4S | C=CCC1(S(=O)(=O)Nc2ncnc3c2C=C[N]3)CC1 |
|
AD38092 | 1.52 | 251.31 | C15H15N4 | N#Cc1c(N)[nH+]cc2c1N(Cc1ccccc1)CC2 |
|
AD38093 | 1.24 | 278.32 | C11H12O2N5S | C=CCC1(S(=O)(=O)Nc2ncnc3c2N=C[N]3)CC1 |
|
AD38094 | -0.35 | 237.22 | C7H5O2N6S | N#CCS(=O)(=O)Nc1ncnc2c1N=C[N]2 |
|
AD38095 | 0.04 | 251.25 | C8H7O2N6S | CC(C#N)S(=O)(=O)Nc1ncnc2c1N=C[N]2 |
|
AD38096 | 1.1 | 259.29 | C12H15ON6 | C=CCC(C)(C)C(=O)n1c(N)c2c(nc1=N)[N]C=N2 |
|
AD38097 | 2.34 | 236.7 | C13H13ON2Cl | N#Cc1ccc(OC2CCNCC2)cc1Cl |
|
AD38098 | 2.03 | 232.28 | C13H16O2N2 | CCOC(=O)CCCc1ccc(C#N)cc1N |
|
AD38099 | 0.56 | 270.33 | C13H22O4N2 | C=CC1CC1(NC(=O)OC(C)(C)C)C(=O)NCCO |
|
AD38100 | 1.42 | 291.29 | C15H11ON6 | C#Cc1cccc(NC(=O)CNc2ncnc3c2N=C[N]3)c1 |