aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD38331 | 0.46 | 303.35 | C14H19O2N6 | COC(=O)CCN1CCN(c2ncnc3c2N=C[N]3)C(C)C1 |
|
AD38332 | 0.49 | 268.33 | C14H20N3F2 | FC1(F)CCNCC12CC[NH+](Cc1ccccn1)C2 |
|
AD38333 | -0.08 | 270.4 | C14H28O2N3 | CC(C)(C)OC(=O)NC1CC[NH+](C2CCNC2)CC1 |
|
AD38334 | -0.94 | 263.37 | C14H23ON4 | CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(N)cc1 |
|
AD38335 | -0.68 | 262.38 | C14H24N5 | c1ncn(CC2CC3CNCCC3[NH+]2CC2CC2)n1 |
|
AD38336 | 1.31 | 255.35 | C15H19N4 | Cc1ccc2c([nH+]1)N(Cc1cccnc1)CCNC2 |
|
AD38337 | 0.54 | 278.33 | C15H20O4N | COC(=O)C1CC([NH3+])CC1C(=O)OCc1ccccc1 |
|
AD38338 | 0.56 | 273.35 | C13H25O4N2 | CCC1(C(=O)OC)CC([NH3+])CN1C(=O)OC(C)(C)C |
|
AD38339 | -0.26 | 266.39 | C13H20ON3S | C[NH+]1CCN(CC(=O)Nc2ccc(S)cc2)CC1 |
|
AD38340 | -0.61 | 272.37 | C13H26O3N3 | C[NH+](CC(N)=O)C1CCCN(C(=O)OC(C)(C)C)C1 |