aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD12521 | -0.11 | 443.22 | C11H16O9N5FP2 | COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1F |
|
AD12522 | 2.67 | 393.21 | C14H14N6I | CN(C)c1nc2c(c(NCc3cccc(I)c3)n1)N=C[N]2 |
|
AD12523 | -6.53 | 2542.65 | C100H167O39N28P3S2 | COP(=O)(O)OP(=O)(O)OP(=O)(O)OC1CC(=O)N(CCOCCOCCOCCN2C(=O)CC(SC(NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(Cc3ccccc3)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)CCCCC3SCC4NC(=O)NC43)C(=O)O)C2=O)C1=O |
|
AD12524 | 2.63 | 307.67 | C12H15O5NPCl | COC(=O)CCNP(=O)(OC)Oc1ccc(Cl)cc1 |
|
AD12525 | 1.87 | 266.28 | C14H12ON5 | CNC(=O)Nc1ncnc2c1C(c1ccccc1)=C[N]2 |
|
AD12526 | 2.43 | 208.29 | C10H12ON2S | CNCc1nc(-c2cccs2)oc1C |
|
AD12527 | 2.69 | 684.89 | C36H61O9N2F | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(Cc2ccc(F)cc2)C(C)C(O)C1(C)O |
|
AD12528 | 0.29 | 136.15 | C7H8ON2 | NNC(=O)c1ccccc1 |
|
AD12529 | 2.59 | 332.44 | C20H28O4 | C=CC1(C)CCC2=C(C1)C(=O)CC1C(C)(CO)C(=O)C(O)CC21C |
|
AD12530 | 0.79 | 206.25 | C11H14O2N2 | CNC(=O)CN(C(C)=O)c1ccccc1 |