aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD37901 | 0.36 | 266.3 | C13H18O4N2 | O=C(NCCO)c1ccncc1OC1CCOCC1 |
|
AD37902 | 0.99 | 259.26 | C13H13O3N3 | O=C(NCCO)c1cnc(Oc2ccccc2)nc1 |
|
AD37903 | 0.74 | 254.31 | C11H14O3N2S | OCCNC(=S)Nc1ccc2c(c1)OCCO2 |
|
AD37904 | 1.59 | 270.3 | C11H8N7S | S=C(Nc1cccnc1)Nc1ncnc2c1N=C[N]2 |
|
AD37905 | 1.73 | 288.29 | C11H7N7FS | Fc1nc2c(c(NC(=S)Nc3cccnc3)n1)N=C[N]2 |
|
AD37906 | 1.61 | 267.31 | C10H12N6FS | CC(C)(C)NC(=S)Nc1nc(F)nc2c1N=C[N]2 |
|
AD37907 | 1.47 | 249.32 | C10H13N6S | CC(C)(C)NC(=S)Nc1ncnc2c1N=C[N]2 |
|
AD37908 | 0.98 | 256.33 | C11H16O3N2S | COc1ccc(NC(=S)NCCO)c(OC)c1 |
|
AD37909 | 0.98 | 256.33 | C11H16O3N2S | COc1ccc(NC(=S)NCCO)cc1OC |
|
AD37910 | 2.01 | 259.64 | C8H5O2NF3ClS | NS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 |