aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD01561 | 0.45 | 233.22 | C8H8O4NFS | COS(=O)(=O)NC(=O)c1ccccc1F |
|
AD01562 | -0.09 | 523.55 | C26H29O7N5 | CC(NC(=O)CO)C(=O)NC(CCC(=O)OCCNC(=O)c1cccc2cc3ccccc3nc12)C(N)=O |
|
AD01563 | 2.78 | 388.5 | C23H32O5 | CC12CCC3C(CCC4CC(O)CCC43C=O)C1(O)CCC2C1=CC(=O)OC1 |
|
AD01564 | 1.26 | 102.13 | C5H10O2 | CCCCC(=O)O |
|
AD01565 | 2.76 | 339.36 | C16H11O3N4S | COc1cccc2cc(CSC3=Nc4cncnc4[N]3)c(=O)oc12 |
|
AD01566 | 0.57 | 133.13 | C6H5N4 | Nc1nccc2c1N=C[N]2 |
|
AD01567 | 1.84 | 266.3 | C15H14ON4 | CNC(=O)c1ccc2c(c1)ncn2Cc1ccccn1 |
|
AD01568 | 1.33 | 182.22 | C10H14O3 | COc1cc(CCCO)ccc1O |
|
AD01569 | 3.78 | 570.72 | C31H40O2N9 | CC(C)N(CCNC(=O)NCCNC(=O)c1nc2c(c(NCC(c3ccccc3)c3ccccc3)n1)N=C[N]2)C(C)C |
|
AD01570 | -2.28 | 738.89 | C30H46O8N10S2 | CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)Cn1cc(C)c(=O)[nH]c1=O)C(=O)Cn1ccc(N)nc1=O |