aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43601 | 3.22 | 296.3 | C13H10O2N2F2S | O=C(Nc1ccc(S)cc1)c1cncc(OC(F)F)c1 |
|
AD43602 | 2.46 | 315.4 | C16H17O2N3S | O=C(Nc1ccc(S)cc1)c1ncccc1N1CCOCC1 |
|
AD43603 | 3.22 | 296.3 | C13H10O2N2F2S | O=C(Nc1ccc(S)cc1)c1cc(OC(F)F)ccn1 |
|
AD43604 | 3.22 | 296.3 | C13H10O2N2F2S | O=C(Nc1ccc(S)cc1)c1cnccc1OC(F)F |
|
AD43605 | 2.87 | 310.38 | C16H14ON4S | O=C(Nc1ccc(S)cc1)c1cn(Cc2ccncc2)cn1 |
|
AD43606 | 2.81 | 296.36 | C15H12ON4S | O=C(Nc1ccc(S)cc1)c1cncn1-c1cccnc1 |
|
AD43607 | 2.87 | 310.38 | C16H14ON4S | O=C(Nc1ccc(S)cc1)c1nccn1Cc1cccnc1 |
|
AD43608 | 2.95 | 301.37 | C15H15O2N3S | O=C(Nc1ccc(S)cc1)c1cc(OC2CCC2)ncn1 |
|
AD43609 | 2.08 | 328.46 | C14H20O3N2S2 | CCOC(=O)c1c(NC(=S)NCCO)sc2c1CCCC2 |
|
AD43610 | 1.63 | 317.41 | C17H19O3NS | O=C(CS(=O)C(c1ccccc1)c1ccccc1)NCCO |