aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD18551 | 2.86 | 253.29 | C13H7ON3S | N#Cc1c(O)[nH]c(=S)c(C#N)c1-c1ccccc1 |
|
AD18552 | 1.19 | 574.69 | C30H38O4N8 | CCCNC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CNC(=O)C(N)Cc1c[nH]c2ccccc12)C(=O)NC |
|
AD18553 | -3.21 | 393.46 | C16H32O5N5F | NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)CCC2N)C(F)C1O |
|
AD18554 | 0.91 | 153.14 | C7H7O3N | ON=Cc1cc(O)ccc1O |
|
AD18555 | -1.13 | 295.36 | C10H21O5N3S | COS(=O)(=O)NC(=O)C(CC(C)C)NC(=O)C(C)N |
|
AD18556 | -0.48 | 464.38 | C21H20O12 | COC(=O)C1=COC(O)C2C1C1OC1C2(O)C(=O)OC=C(C(=O)O)c1ccc(O)c(OC)c1 |
|
AD18557 | 2.05 | 267.33 | C16H17ON3 | CC(C)(C)c1ccc(C#Cc2c[nH]c(=O)nc2N)cc1 |
|
AD18558 | 3.45 | 235.31 | C16H15N2 | CCc1ccc(CC2=N[N]c3ccccc32)cc1 |
|
AD18559 | 2.82 | 274.1 | C11H6N4Br | Brc1cccc(-c2ncnc3c2N=C[N]3)c1 |
|
AD18560 | 1.26 | 214.22 | C12H10O2N2 | NC(=O)C(=O)Nc1ccc2ccccc2c1 |