aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD14411 | 1.4 | 263.32 | C12H13O2N3S | O=C(O)CNCCSc1cnc2ccccc2n1 |
|
AD14412 | 0.78 | 478.48 | C22H27O7N4F | O=C(O)CNC(=O)CCNCCOCCNc1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1 |
|
AD14413 | -0.43 | 480.47 | C23H28O11 | COC(=O)C12OCC34C(CC5C(C)=C(O)C(=O)CC5(C)C3C(O)C1O)OC(=O)C(OC(C)=O)C24 |
|
AD14414 | 2.49 | 214.27 | C11H8N3S | Cc1ncnc2c1C(c1cccs1)=C[N]2 |
|
AD14415 | 1.01 | 156.17 | C9H6N3 | C#CC1=C[N]c2ncnc(C)c21 |
|
AD14416 | 2.54 | 626.96 | C12H12O3N3I3 | CC(=O)Nc1c(I)c(C(N)=O)c(I)c(N(C)C(C)=O)c1I |
|
AD14417 | 9.68 | 1407.22 | C74H53O18N7Cl2S | O=C1NC2C(=O)NC3C(=O)NC4C(=O)NC(C(=O)NC(C(=O)O)c5cc(O)cc(O)c5-c5cc4ccc5O)C(O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O)Oc3ccc(cc3Cl)CC1NC(=O)C(n1cc3ccccc3c1Sc1ccccc1)c1ccc(O)c(c1)Oc1cc(O)cc2c1 |
|
AD14418 | 1.59 | 190.36 | C9H22N2S | CSC(CCN)CCCCCN |
|
AD14419 | 2.24 | 243.32 | C12H11N4S | CN(C)c1ncnc2c1C(c1cccs1)=C[N]2 |
|
AD14420 | 4.39 | 276.79 | C16H13OClS | CC#CCOc1ccc(Cc2ccsc2Cl)cc1 |