aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42151 | -0.61 | 307.37 | C16H23O4N2 | COC(=O)C1CC([NH2+]CCO)CCN1C(=O)c1ccccc1 |
|
AD42152 | 0.35 | 322.41 | C14H19N6FS | FC1=C[N]c2ncnc(NC(=S)NCC[NH+]3CCCCC3)c21 |
|
AD42153 | -0.12 | 323.4 | C13H18N7FS | Fc1nc2c(c(NC(=S)NCC[NH+]3CCCCC3)n1)N=C[N]2 |
|
AD42154 | 0.39 | 339.86 | C14H18N7ClS | S=C(NCC[NH+]1CCCCC1)Nc1nc(Cl)nc2c1N=C[N]2 |
|
AD42155 | -0.8 | 127.21 | C7H15N2 | NC1CC2CCC(C1)[NH2+]2 |
|
AD42156 | -1.02 | 125.19 | C7H13N2 | NC1CC2C=CC(C1)[NH2+]2 |
|
AD42157 | 1.86 | 352.14 | C11H9N6I | Cc1c[nH+]ccc1Nc1nc(I)nc2c1N=C[N]2 |
|
AD42158 | 1.86 | 352.14 | C11H9N6I | Cc1cc(Nc2nc(I)nc3c2N=C[N]3)cc[nH+]1 |
|
AD42159 | -0.46 | 344.24 | C10H14N7SBr | C[NH+](C)CCNC(=S)Nc1ncnc2c1N=C(Br)[N]2 |
|
AD42160 | -2.04 | 148.26 | C5H14N3S | C[NH+](C)CCNC(N)=S |