aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43151 | 3.15 | 311.82 | C13H10ON3ClS2 | O=C(CSc1cncc(Cl)n1)Nc1ccc(S)cc1 |
|
AD43152 | 2.98 | 299.15 | C10H7O2N2SBr | O=C(Nc1ccc(S)cc1)c1cnc(Br)o1 |
|
AD43153 | 2.94 | 318.36 | C14H13ON5FS | O=C(CCCCc1cccs1)Nc1nc(F)nc2c1N=C[N]2 |
|
AD43154 | 2.8 | 291.4 | C13H13ON3S2 | Cc1ccnc(SCC(=O)Nc2ccc(S)cc2)n1 |
|
AD43155 | 1.97 | 315.38 | C14H15ON6S | N=c1nc2c(c(N)n1C(=O)CCCCc1cccs1)N=C[N]2 |
|
AD43156 | 2.15 | 339.19 | C14H15O3N2Br | O=C(CCc1cc(-c2ccc(Br)cc2)no1)NCCO |
|
AD43157 | 1.19 | 304.14 | C11H14O4NBr | COc1cc(C(=O)NCCO)c(OC)cc1Br |
|
AD43158 | 2.09 | 273.32 | C13H17ON6 | CC1CCC(NC(=O)Nc2ncnc3c2N=C[N]3)CC1 |
|
AD43159 | 2.93 | 328.44 | C17H20ON4S | Cc1cc(N2CCC(C(=O)Nc3ccc(S)cc3)CC2)ncn1 |
|
AD43160 | 2.81 | 352.22 | C13H16ON6Br | CC1CCC(NC(=O)Nc2ncnc3c2N=C(Br)[N]3)CC1 |