aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40631 | 1.91 | 284.36 | C16H20ON4 | c1cncc(OCc2nn(CC3CC3)c3c2CNCC3)c1 |
|
AD40632 | 2.08 | 314.41 | C17H18O2N2S | O=S1(=O)c2ccccc2C2(CCNC2)N1Cc1ccccc1 |
|
AD40633 | 1.16 | 274.06 | C7H7N4I | Cn1cc(I)c2c(N)ncnc21 |
|
AD40634 | 1.8 | 274.36 | C16H22O2N2 | COc1ccc(CN2CCC3(CCCNC3)C2=O)cc1 |
|
AD40635 | 1.58 | 278.38 | C13H18ON4S | Cc1nc(COCC2CNCc3ccnn3C2)cs1 |
|
AD40636 | 1.17 | 281.38 | C13H19O2N3S | O=C(NCC1CCCC2(CCNC2)O1)c1cscn1 |
|
AD40637 | 0.33 | 281.36 | C14H23O3N3 | CC(C)(C)OC(=O)N1CC2(CNCC23CCNC3=O)C1 |
|
AD40638 | 1.16 | 275.35 | C15H21O2N3 | COC(=O)c1cc2c(nc1N1CCCC1)CCNCC2 |
|
AD40639 | 0.57 | 288.41 | C13H24O3N2S | COCC1CC2(CCNCC2)CN1S(=O)(=O)C1CC1 |
|
AD40640 | 0.6 | 274.32 | C14H18O2N4 | O=C(NCc1ccncc1)C1=NOC2(CCCNC2)C1 |