aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD37121 | -0.1 | 257.29 | C11H19O4N3 | CC(C)(C)OC(=O)NC(CC#N)C(=O)NCCO |
|
AD37122 | 1.43 | 240.3 | C12H20O3N2 | C=C1CN(C(=O)OC(C)(C)C)C(C)(C(N)=O)C1 |
|
AD37123 | 1.4 | 243.31 | C14H17ON3 | N#Cc1ccccc1CN1CCCCC1C(N)=O |
|
AD37124 | 1.26 | 252.31 | C13H20O3N2 | C#CCC1(C(N)=O)CCCN1C(=O)OC(C)(C)C |
|
AD37125 | -0.01 | 275.26 | C13H13O4N3 | N#Cc1cccc(N2CC(C(=O)NCCO)OC2=O)c1 |
|
AD37126 | -0.16 | 256.28 | C10H12O4N2S | COc1ccc(C#N)c(S(=O)(=O)NCCO)c1 |
|
AD37127 | 0.97 | 261.1 | C7H5O2N2SBr | N#Cc1cc(S(N)(=O)=O)ccc1Br |
|
AD37128 | 1.2 | 230.33 | C14H20N3 | N#Cc1ccc(CNC2CCC([NH3+])CC2)cc1 |
|
AD37129 | -0.12 | 91.13 | C2H5ONS | COC(N)=S |
|
AD37130 | 1.5 | 280.31 | C15H14ON5 | O=c1[nH]cnc2c1N=C(N1CCC(c3ccccc3)C1)[N]2 |