aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD12661 | 1.25 | 214.61 | C9H7O3N2Cl | O=C(O)NNC(=O)c1ccc(Cl)cc1 |
|
AD12662 | 2.83 | 341.36 | C18H13N8 | CNc1nc(-n2cc(-c3ccc4ccccc4n3)cn2)nc2c1N=C[N]2 |
|
AD12663 | 1.77 | 282.28 | C14H12O2N5 | C1=Nc2c(ncnc2NCCc2ccc3c(c2)OCO3)[N]1 |
|
AD12664 | 0.79 | 102.13 | C5H10O2 | C=C(COC)OC |
|
AD12665 | 3.1 | 403.24 | C15H9O2N5SBr | Nc1ncnc2c1N=C(SCc1cc3cc(Br)ccc3oc1=O)[N]2 |
|
AD12666 | 2.15 | 643.86 | C33H61O9N3 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN2C(=NC(C)C)OC(C2C)C1(C)O |
|
AD12667 | 2.91 | 713.56 | C30H31O11N6P2 | COc1cccc(C(=O)NC2C(O)C(COP(=O)([O-])OP(=O)(O)OC)OC2n2cnc3c(NCc4cccc5ccccc45)ncnc32)c1 |
|
AD12668 | 3.1 | 496.73 | C29H52O6 | CC(C)C(CCO)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O |
|
AD12669 | 2.91 | 224.3 | C12H20O2N2 | CC1CCC(C(C)C)C(Oc2nnco2)C1 |
|
AD12670 | -0.04 | 221.28 | C8H15O4NS | COCC(=O)NC(CCSC)C(=O)O |