aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD21301 | 0.32 | 223.28 | C11H17O2N3 | CN(CCC(N)C(=O)O)Cc1ccccn1 |
|
AD21302 | 2.79 | 370.5 | C19H18O2N2S2 | CSCCNC(=S)NCc1ccc2c(c1)C(=O)c1ccccc1C2=O |
|
AD21303 | 2.46 | 230.26 | C14H14O3 | OCc1cc(OCc2ccccc2)ccc1O |
|
AD21304 | 1.55 | 247.28 | C11H15ON6 | CC(C)(C)CNC(=O)Nc1ncnc2c1N=C[N]2 |
|
AD21305 | 2.32 | 510.72 | C28H50O6N2 | CCC1OC(=O)CC(O)C(C)C(O)C(CCNCCCN(C)C)CC(C)C(=O)C=CC(C)=CC1CO |
|
AD21306 | 0.05 | 245.27 | C11H13ON6 | CC(=O)N1CCN(c2ncnc3c2N=C[N]3)CC1 |
|
AD21307 | -0.78 | 124.12 | C5H6ON3 | CNC1=NC(=O)C=C[N]1 |
|
AD21308 | 0.21 | 301.41 | C13H23O3N3S | O=C(CCCCC1SCC2NC(=O)NC21)NCCCO |
|
AD21309 | 4.19 | 300.79 | C19H17O2Cl | Clc1c(Cc2ccc3c(c2)OCCO3)ccc2c1CCC2 |
|
AD21310 | 2.89 | 357.42 | C17H17O3N4S | COc1cc(C=CCSc2ncnc3c2C=N[N]3)cc(OC)c1OC |