aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43191 | 3.05 | 300.38 | C16H16O2N2S | COc1ccnc(C2(C(=O)Nc3ccc(S)cc3)CC2)c1 |
|
AD43192 | 2.48 | 285.26 | C13H10ON6F | Cc1cc(NC(=O)Nc2ncnc3c2N=C[N]3)ccc1F |
|
AD43193 | 3.98 | 289.4 | C16H19O2NS | COC(=O)c1sc(-c2ccc(CC(C)C)cc2)cc1N |
|
AD43194 | 3.98 | 317.4 | C19H19N5 | CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc21 |
|
AD43195 | 3.26 | 297.31 | C17H15O4N | COc1ccc(C(=O)c2oc3ccccc3c2N)cc1OC |
|
AD43196 | 3.18 | 288.35 | C15H13ON2FS | O=C(Nc1ccc(S)cc1)C1(c2ccc(F)cn2)CC1 |
|
AD43197 | 3.59 | 302.8 | C18H19ON2Cl | Clc1ccc(C(OC2CCNCC2)c2ccccn2)cc1 |
|
AD43198 | 3.21 | 319.91 | C6H3N2F3Br2 | Nc1ncc(Br)c(C(F)(F)F)c1Br |
|
AD43199 | 4.03 | 282.6 | C14H14ONCl3 | CCCNCCOc1c(Cl)cc(Cl)cc1Cl |
|
AD43200 | 3.67 | 310.19 | C14H16O2NBr | COc1cc(Br)c2oc(C3CCNCC3)cc2c1 |