aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40461 | 0.04 | 318.38 | C16H22O3N4 | NC(Cc1cn(COCc2ccccc2)cn1)C(=O)NCCO |
|
AD40462 | -0.34 | 305.38 | C16H23O3N3 | NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)NCCO |
|
AD40463 | 0.33 | 320.15 | C7H8O2N6SBr | CN(C)S(=O)(=O)Nc1ncnc2c1N=C(Br)[N]2 |
|
AD40464 | -0.39 | 339.1 | C5H4O2N6SI | NS(=O)(=O)Nc1nc(I)nc2c1N=C[N]2 |
|
AD40465 | -2.53 | 235.23 | C9H11O2N6 | N=c1cc(C[NH3+])ncn1-c1c[nH]c(=O)[nH]c1=O |
|
AD40466 | -2.61 | 209.19 | C7H9O2N6 | [NH3+]Cc1ncn(-c2c[nH]c(=O)[nH]c2=O)n1 |
|
AD40467 | 0.23 | 295.39 | C13H19O2N4S | CCOC(=O)c1sc2[nH]c(C[NH+](C)C)nc(=N)c2c1C |
|
AD40468 | -2.22 | 214.25 | C8H16O2N5 | NC(CCC[NH3+])Nc1c[nH]c(=O)[nH]c1=O |
|
AD40469 | 0.5 | 302.44 | C18H28ON3 | c1cncc(COCC2C[NH+](CC3CC3)CC23CCNC3)c1 |
|
AD40470 | 0.04 | 291.37 | C16H23O3N2 | COc1cc2c(cc1OC)C(=O)C1(CC[NH+](C)CC1)NC2 |