aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD17871 | 0.22 | 330.65 | C11H10O4N5PCl | O=P([O-])([O-])OC1CCCC1Nc1nc(Cl)nc2c1N=C[N]2 |
|
AD17872 | 0.83 | 395.45 | C19H23O2N8 | Nc1nc(NCCN2CCN(c3ccc(CC(=O)O)cc3)CC2)nc2c1N=C[N]2 |
|
AD17873 | 1.59 | 474.34 | C19H22O2N8Br | Nc1nc(NCCN2CCN(c3ccc(CC(=O)O)cc3Br)CC2)nc2c1N=C[N]2 |
|
AD17874 | -0.21 | 158.18 | C5H6O2N2S | CSc1cc(=O)[nH]c(=O)[nH]1 |
|
AD17875 | 1.81 | 290.35 | C14H20O2N5 | CCCCCCCCNc1nc(=O)c2c(c(=O)[nH]1)[N]C=N2 |
|
AD17876 | 0.79 | 559.79 | C28H57O6N5 | NCCCCC(C(=O)NCCCCCCO)N(CC(=O)NCCCCCCO)CC(=O)NCCCCCCO |
|
AD17877 | -3.1 | 2172.63 | C95H142O28N20S5 | CCC(C)C(NC(=O)C1CCCN1C(=O)C(CNC(=O)C1CCCN1C(=O)CNC(=O)C(CC(N)=O)NC(=O)C(CCCCNC(=O)CCS)NC(=O)CCS)NC(=O)C1CCCN1C(=O)CNC(=O)C(CC(N)=O)NC(=O)C(CCCCNC(=O)CCS)NC(=O)CCS)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CS)C(=O)N(C(C)=O)C1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21)C(C)C |
|
AD17878 | 2.13 | 257.32 | C13H17N6 | Nc1nc(NCCC2C=CCCC2)nc2c1N=C[N]2 |
|
AD17879 | 2.16 | 229.07 | C9H9O2Br | COC(=O)Cc1cccc(Br)c1 |
|
AD17880 | 3.63 | 307.74 | C18H10ON3Cl | N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccccn2)[nH]c1=O |