aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD39311 | 0.67 | 298.12 | C9H10ON6Br | CC(C)(Br)C(=O)n1c(N)c2c(nc1=N)[N]C=N2 |
|
AD39312 | 0.9 | 312.13 | C10H10O2N5Br | O=C(Nc1ncnc2[nH]c(=O)[nH]c12)C1(Br)CCC1 |
|
AD39313 | 1.78 | 313.11 | C10H8ON5FBr | O=C(Nc1nc(F)nc2c1N=C[N]2)C1(Br)CCC1 |
|
AD39314 | 1.66 | 254.27 | C13H12ON5 | OCCc1cccc(Nc2ncnc3c2N=C[N]3)c1 |
|
AD39315 | 2.6 | 258.32 | C15H18O2N2 | CCOC(=O)c1c(N)c(C)cn1Cc1ccccc1 |
|
AD39316 | 2.58 | 266.14 | C11H12N3Br | Cc1cnn(Cc2ccc(Br)cc2)c1N |
|
AD39317 | 2.18 | 260.27 | C14H13O2N2F | COC(=O)c1ncc(Cc2ccc(F)cc2)cc1N |
|
AD39318 | 2.5 | 265.94 | C6H6N2Br2 | Cc1nc(N)c(Br)cc1Br |
|
AD39319 | 2.29 | 267.31 | C12H13O4NS | COC(=O)c1sc2cc(OC)c(OC)cc2c1N |
|
AD39320 | 2.14 | 258.36 | C16H22ON2 | CCN1C(=O)C(c2ccccc2)CC12CCNCC2 |