aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD23651 | 1.79 | 183.64 | C10H10ONCl | CNC(=O)c1ccc(CCl)cc1 |
|
AD23652 | 2.34 | 629.74 | C28H32O5N7FS2 | CNS(=O)(=O)c1ccc(CCn2cc(CCN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)nn2)s1 |
|
AD23653 | 2.56 | 252.3 | C14H14N5 | CCc1nc2c(c(NCc3ccccc3)n1)N=C[N]2 |
|
AD23654 | 1.06 | 197.22 | C11H9N4 | Nc1ncnc2c1C(C#CC1CC1)=C[N]2 |
|
AD23655 | 1.85 | 220.25 | C11H8O3S | COC1=C(S)C(=O)c2ccccc2C1=O |
|
AD23656 | -1.4 | 211.18 | C7H9O3N5 | Nc1nc(OCCO)c2[nH]c(=O)[nH]c2n1 |
|
AD23657 | 5.25 | 698.94 | C40H62O8N2 | CCC(C)CN(C(=O)c1ccccc1)C(CC1CC(C)C(=O)C=CC(C)=CC(CO)C(CC)OC(=O)CC(O)C(C)C1O)C(=O)NC(C)(C)C |
|
AD23658 | 3.24 | 243.26 | C14H13O3N | COC(=O)Nc1cccc(-c2ccccc2O)c1 |
|
AD23659 | 2.59 | 306.39 | C15H18O3N2S | Cc1cccc(O)c1-c1cccc(NS(=O)(=O)N(C)C)c1 |
|
AD23660 | 2.71 | 386.42 | C21H23O4N2F | C=CC1C(O)OC=C(C(=O)OC)C1CC1NCCc2c1[nH]c1ccc(F)cc21 |