aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD36611 | -0.4 | 256.33 | C10H16O2N4S | CN1CCN(S(=O)(=O)c2cccnc2N)CC1 |
|
AD36612 | 1.29 | 257.29 | C14H15O2N3 | Nc1cc(C(=O)N2CCOCC2)c2ccccc2n1 |
|
AD36613 | 1.4 | 247.25 | C12H13O3N3 | CCOC(=O)c1cnc2ccc(OC)nc2c1N |
|
AD36614 | 0.29 | 242.3 | C10H14O3N2S | Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 |
|
AD36615 | 0.71 | 275.29 | C12H15O2N6 | CC(C)NC(=O)OC1CN(c2ncnc3c2N=C[N]3)C1 |
|
AD36616 | 0.13 | 271.34 | C12H17O4NS | CCS(=O)(=O)c1ccc(CC(=O)NCCO)cc1 |
|
AD36617 | 1.2 | 254.72 | C13H15O2N2Cl | NC(=O)C(c1ccccc1Cl)N1CCOCC1 |
|
AD36618 | 0.86 | 236.31 | C13H20O2N2 | NCc1cccc(OCCN2CCOCC2)c1 |
|
AD36619 | 0.38 | 238.33 | C13H22O2N2 | O=C(CC1COCC2CNCC21)NCC1CC1 |
|
AD36620 | 1.9 | 228.34 | C12H24O2N2 | CC1NCCCC1CNC(=O)OC(C)(C)C |