aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD37531 | 0.54 | 268.31 | C13H20O4N2 | CCOC(=O)c1c(CCC(=O)NCCO)c[nH]c1C |
|
AD37532 | 1.89 | 247.32 | C12H13ON3S | Cn1cnc(CC(=O)Nc2ccc(S)cc2)c1 |
|
AD37533 | 2.2 | 261.35 | C13H15ON3S | Cc1cc(CC(=O)Nc2ccc(S)cc2)nn1C |
|
AD37534 | 2.37 | 247.32 | C12H13ON3S | CC(C(=O)Nc1ccc(S)cc1)n1ccnc1 |
|
AD37535 | 2.31 | 254.28 | C13H16ON2F2 | NC(=O)C1(Cc2ccccn2)CCC(F)(F)CC1 |
|
AD37536 | 2.31 | 254.28 | C13H16ON2F2 | NC(=O)C1(Cc2ccncc2)CCC(F)(F)CC1 |
|
AD37537 | 0.53 | 264.32 | C14H20O3N2 | O=C(NCCO)C1(Cc2ccccn2)CCOCC1 |
|
AD37538 | 2.26 | 255.32 | C15H17ON3 | Cc1ccnc(-c2cc(CCCC(N)=O)ccn2)c1 |
|
AD37539 | 0.56 | 265.13 | C7H9O2N2SBr | O=C(Cc1csc(Br)n1)NCCO |
|
AD37540 | 1.14 | 262.23 | C11H13O2N2F3 | O=C(CCc1cncc(C(F)(F)F)c1)NCCO |