aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43431 | 2.59 | 328.39 | C17H16O3N2S | O=C(Nc1ccc(S)cc1)c1ccc(N2CCOCC2=O)cc1 |
|
AD43432 | 1.85 | 334.42 | C18H26O4N2 | CC(C)(C)OC(=O)N1Cc2ccccc2CC1CC(=O)NCCO |
|
AD43433 | 1.58 | 313.07 | C9H8O2N2F3Br | O=C(NCCO)c1cnc(Br)c(C(F)(F)F)c1 |
|
AD43434 | 1.6 | 352.43 | C18H28O5N2 | CC(C)(C)OC(=O)NC(CCOCc1ccccc1)C(=O)NCCO |
|
AD43435 | 1.7 | 308.38 | C16H24O4N2 | CN(C(=O)OC(C)(C)C)C(C(=O)NCCO)c1ccccc1 |
|
AD43436 | 1.16 | 320.39 | C17H24O4N2 | CC(C)(C)OC(=O)NC1(C(=O)NCCO)Cc2ccccc2C1 |
|
AD43437 | 2.78 | 308.4 | C15H20O3N2S | CCOC(=O)N1CCC(C(=O)Nc2ccc(S)cc2)CC1 |
|
AD43438 | 2.62 | 318.33 | C14H10N5F2S | FC1=C[N]c2ncnc(NC(=S)NCc3ccc(F)cc3)c21 |
|
AD43439 | 1.93 | 320.35 | C18H16O2N4 | O=C(NCCO)c1cc(-c2ccccn2)nc(-c2ccccn2)c1 |
|
AD43440 | 2.01 | 301.33 | C13H10N6FS | Fc1ccc(CNC(=S)Nc2ncnc3c2N=C[N]3)cc1 |