aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD11761 | 1.45 | 218.24 | C10H12ON5 | Oc1nc2c(c(NC3CCCC3)n1)N=C[N]2 |
|
AD11762 | 1.51 | 148.21 | C9H12N2 | c1cc(C2CCCN2)ccn1 |
|
AD11763 | 3.45 | 237.75 | C13H12NClS | NCc1ccc(Cc2ccccc2Cl)s1 |
|
AD11764 | 2.12 | 892.09 | C47H73O15N | COC(=O)C(NC(=O)C1C(O)CC2(O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)C=CC=CC=CC=CC=CC=CC=CC(O)CC1O2)C(C)C |
|
AD11765 | 5.53 | 654.85 | C37H54O8N2 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC3C2OC(=NCc2ccccc2)N3C)C(C)(OC)CC(C)=C2OC1(C)C=C2C |
|
AD11766 | 1.64 | 191.15 | C8H5O3N3 | O=[N+]([O-])c1ccc(-c2nnco2)cc1 |
|
AD11767 | 0.83 | 207.23 | C11H13O3N | CC=C1C2=CCCN3C(=O)OC(C1O)C23 |
|
AD11768 | -0.24 | 569.58 | C26H31O8N7 | CC(NC(=O)CO)C(=O)NC(CCC(=O)NCCCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=O)c12)C(N)=O |
|
AD11769 | 1.25 | 179.23 | C7H7N4S | CSCc1ncnc2c1N=C[N]2 |
|
AD11770 | 1.4 | 270.32 | C14H16ON5 | Nc1nc(C#CC2(O)CCCCCC2)nc2c1N=C[N]2 |