aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD35121 | -1.17 | 247.31 | C11H23O4N2 | CC(C)(C)OC(=O)CCC([NH3+])C(=O)NCCO |
|
AD35122 | -1.13 | 253.32 | C13H21O3N2 | C[NH2+]C(COCc1ccccc1)C(=O)NCCO |
|
AD35123 | 0.54 | 235.31 | C13H19O2N2 | COc1cccc(C(=O)N2CCC([NH3+])CC2)c1 |
|
AD35124 | -1.42 | 211.28 | C11H19O2N2 | COC(=O)C12C[NH2+]CC1C1CNCC1C2 |
|
AD35125 | -0.64 | 223.3 | C11H19ON4 | C[NH+]1CCC(COc2cnc(N)nc2)CC1 |
|
AD35126 | -0.22 | 221.33 | C12H21N4 | CC(C)[NH+]1CCN(c2ccc(N)cn2)CC1 |
|
AD35127 | 0.38 | 203.31 | C13H19N2 | c1ccc2c(c1)CC[NH2+]C21CCNCC1 |
|
AD35128 | 1.08 | 276.68 | C13H9O2N4Cl | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C)c2cc1Cl |
|
AD35129 | 1.08 | 276.68 | C13H9O2N4Cl | Cc1cc2c(cc1Cl)nc1c(=O)[nH]c(=O)nc-1n2C |
|
AD35130 | 1.39 | 255.28 | C14H13O2N3 | Cc1cc2cc3c(=O)[nH]c(=O)n(C)c3nc2cc1C |