aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43751 | 2.11 | 348.42 | C17H20O4N2S | COc1ccc(CSc2ncccc2C(=O)NCCO)c(OC)c1 |
|
AD43752 | 3.1 | 301.35 | C15H12ON3FS | O=C(Cn1cnc2ccc(F)cc21)Nc1ccc(S)cc1 |
|
AD43753 | 2.02 | 281.3 | C14H13ON6 | Cc1ccc(CNC(=O)Nc2ncnc3c2N=C[N]3)cc1 |
|
AD43754 | 2.74 | 360.19 | C14H12ON6Br | Cc1ccc(CNC(=O)Nc2ncnc3c2N=C(Br)[N]3)cc1 |
|
AD43755 | 2.95 | 304.37 | C15H16O3N2S | COc1nc(OC)c(C(=O)Nc2ccc(S)cc2)cc1C |
|
AD43756 | 3.06 | 362.44 | C13H8O2N5S3 | O=S(=O)(Nc1[nH]c(=S)nc2c1N=C[N]2)c1cc2ccccc2s1 |
|
AD43757 | 2.5 | 319.71 | C14H9ON6FCl | O=C(NCc1ccc(F)cc1)Nc1nc(Cl)nc2c1N=C[N]2 |
|
AD43758 | 2.57 | 364.16 | C13H9ON6FBr | O=C(NCc1ccc(F)cc1)Nc1ncnc2c1N=C(Br)[N]2 |
|
AD43759 | 1.16 | 164.21 | C9H12ON2 | Cc1ccc(CNC(N)=O)cc1 |
|
AD43760 | 2.81 | 354.82 | C13H9O2N5ClS2 | Cc1cc(S(=O)(=O)Nc2[nH]c(=S)nc3c2N=C[N]3)ccc1Cl |