aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD13221 | 3.41 | 357.44 | C21H21N6 | Nc1nc(NCCc2ccc(CCc3ccccc3)cc2)nc2c1N=C[N]2 |
|
AD13222 | 0.08 | 179.18 | C8H9O2N3 | NC(=O)NC(=O)c1ccc(N)cc1 |
|
AD13223 | -0.96 | 109.09 | C4H3ON3 | N#CC1NN=CC1=O |
|
AD13224 | 4.88 | 316.83 | C20H21O2Cl | CC1(OCCOc2ccc(Cc3ccccc3Cl)cc2)CC1 |
|
AD13225 | 5.15 | 505.66 | C25H31O6NS2 | CCSSC(CCOC(=O)C(C)c1ccc2cc(OC)ccc2c1)=C(C)N(C=O)CC(=O)OC |
|
AD13226 | 1.33 | 141.13 | C5H7O2N3 | CC(=O)C(=CO)CN=[N+]=[N-] |
|
AD13227 | -3.11 | 221.2 | C7H9ON8 | NC(=O)C1=C(C2N=C(N)NC(N)=N2)[N]C=N1 |
|
AD13228 | 4.68 | 214.39 | C14H30O | CCCCCCCCCCCCC(C)O |
|
AD13229 | 1.03 | 772.86 | C40H48O10N6 | COc1ccc(CC2C(=O)NC(C)C(=O)N(C)C3Cc4ccc(cc4)Oc4cc(ccc4O)C(O)C(C(=O)NC(C)C(=O)NC(C)C(=O)N2C)N(C)C3=O)cc1 |
|
AD13230 | 0.79 | 813.91 | C42H51O10N7 | COc1ccc(CC2C(=O)NC(C)C(=O)N(C)C3Cc4ccc(cc4)Oc4cc(ccc4O)CC(C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)N2C)N(C)C3=O)cc1 |