aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD38531 | -0.33 | 250.3 | C12H18O2N4 | Cn1ccnc1C(=O)NC1CNC2CCCOC21 |
|
AD38532 | 1.89 | 266.92 | C5H5N3Br2 | Cc1nc(N)c(Br)nc1Br |
|
AD38533 | 1.85 | 258.34 | C13H23O2N2F | CC(C)(C)OC(=O)NC1(C2CNCC2CF)CC1 |
|
AD38534 | 1.84 | 255.32 | C15H17ON3 | c1ccc(COCc2cncc3c2CCNC3)nc1 |
|
AD38535 | 1.39 | 266.37 | C13H18O2N2S | O=C(NC1CCOC2(CCNC2)C1)c1ccsc1 |
|
AD38536 | -0.23 | 264.33 | C13H20O2N4 | Cn1cc(C(=O)NCC2OCC3CNCCC32)cn1 |
|
AD38537 | 0.91 | 264.32 | C14H20O3N2 | O=C(CC1OCC2CNCCC21)NCc1ccco1 |
|
AD38538 | 1.55 | 265.38 | C13H19ON3S | Cc1nc(CN2CCC3(CCCNC3)C2=O)cs1 |
|
AD38539 | 1.36 | 251.35 | C12H17ON3S | O=C(c1cscn1)N1CCC2(CCNCC2)C1 |
|
AD38540 | 0.76 | 258.32 | C12H22O4N2 | CCOC(=O)C1CN(C(=O)OC(C)(C)C)CCN1 |