aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD20161 | 4.79 | 293.75 | C15H9ONFClS | Fc1ccc(Cc2ncc(-c3ccco3)s2)c(Cl)c1 |
|
AD20162 | -3.92 | 698.65 | C28H34O10N12 | OCc1cn(C2OC(CO)C(n3cc(-c4ccc(-c5cn(C6C(CO)OC(n7cc(CO)nn7)C(O)C6O)nn5)cc4)nn3)C(O)C2O)nn1 |
|
AD20163 | -0.27 | 246.26 | C11H18O6 | COC(=O)C1CC(O)C(OC)CC1C(=O)OC |
|
AD20164 | 4.02 | 304.44 | C15H22N5S | CCCCSc1nc2c(c(NC3CCCCC3)n1)N=C[N]2 |
|
AD20165 | 0.02 | 382.45 | C20H30O7 | CC1=C(C(C)C)CC2(O)C1(O)C1OC(=O)CC2(CO)C2(O)CCC(C)C12O |
|
AD20166 | 2.44 | 253.67 | C14H6N4Cl | Clc1cccc(C#Cc2ncnc3c2N=C[N]3)c1 |
|
AD20167 | 0.28 | 233.24 | C8H11O5NS | CNS(=O)(=O)c1cc(C(=O)OC)c(C)o1 |
|
AD20168 | 0.72 | 194.24 | C7H8N5S | CCSC1=N[N]c2ncnc(N)c21 |
|
AD20169 | 3.98 | 414.47 | C22H16O2N5S | O=S(=O)(c1ccccc1)c1nc2c(c(NCc3cccc4ccccc34)n1)N=C[N]2 |
|
AD20170 | 1.09 | 269.29 | C13H13ON6 | COc1ccc(CNC2=Nc3c(N)ncnc3[N]2)cc1 |