aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD19541 | -0.1 | 240.23 | C11H13O3N2F | NC(Cc1cccc(F)c1)C(=O)NCC(=O)O |
|
AD19542 | 0.87 | 146.15 | C7H6N4 | c1ccc(-c2nc[nH]n2)nc1 |
|
AD19543 | 2.9 | 463.96 | C25H30O6NCl | COC(=O)C(CNC1(C)CC(O)OC(C)C1O)OCc1ccc(-c2ccc(Cl)cc2)cc1 |
|
AD19544 | -0.25 | 537.47 | C16H33O11N3P2S | CNC(=O)CCSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC |
|
AD19545 | -1.43 | 432.54 | C18H32O6N4S | CNC(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)CNC(=O)CC(C)=O |
|
AD19546 | 1.13 | 2950.84 | C148H249O27N35 | CCC(C)C(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCCCNC(=O)C(NC(=O)C(CCCCN)NC(=O)C(Cc1ccccc1)NC(=O)C(CCCCNC(=O)C(CC(C)C)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(C)=O)NC(=O)C(CC(C)C)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(C)=O)C(C)CC)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(Cc1ccccc1)NC(=O)C(CCCCNC(=O)C(CC(C)C)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(C)=O)NC(=O)C(CC(C)C)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(C)=O)C(C)CC)C(N)=O |
|
AD19547 | 0.25 | 83.09 | C4H5ON | C#CCON=C |
|
AD19548 | 0.53 | 174.99 | C4H3ON2Br | O=c1cnc(Br)c[nH]1 |
|
AD19549 | 1.49 | 337.18 | C11H7ON5SBr | NC(=O)C1=C(c2ccc(Br)s2)[N]c2ncnc(N)c21 |
|
AD19550 | 1.15 | 177.2 | C10H11O2N | CNC(=O)C=Cc1ccc(O)cc1 |