aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD39021 | 0.13 | 280.42 | C14H22ON3S | C[NH+]1CCN(CCC(=O)Nc2ccc(S)cc2)CC1 |
|
AD39022 | 0.95 | 287.38 | C14H27O4N2 | CC(C)(C)OC(=O)C1CC([NH3+])CN1C(=O)OC(C)(C)C |
|
AD39023 | -1.19 | 301.35 | C15H19O2N5 | NC(=O)C1=C(Nc2ccc(C[NH+]3CCOCC3)cc2)[N]C=N1 |
|
AD39024 | 0.49 | 309.17 | C11H13N6Br | C[NH+]1CCCC(=Nc2ncnc3c2N=C(Br)[N]3)C1 |
|
AD39025 | -1.19 | 301.35 | C15H19O2N5 | NC(=O)C1=C(Nc2cccc(C[NH+]3CCOCC3)c2)[N]C=N1 |
|
AD39026 | 0.37 | 282.37 | C17H20ON3 | NC(=O)C1C[NH+](Cc2ccccn2)CC1c1ccccc1 |
|
AD39027 | 1.25 | 274.35 | C14H20ON5 | CN(C)C(=O)c1cc2c[nH+]c(N)nc2n1C1CCCC1 |
|
AD39028 | 0.76 | 309.17 | C11H13N6Br | BrC1=Nc2c(ncnc2NC=C2CC[NH2+]CC2)[N]1 |
|
AD39029 | 0.85 | 283.34 | C15H21ON2F2 | CC(C)(C)[NH+]1CC(C(N)=O)C(c2ccc(F)cc2F)C1 |
|
AD39030 | -0.94 | 111.13 | C4H7N4 | Nc1cc(N)[nH+]cn1 |