aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD17331 | 3.85 | 219.35 | C13H17NS | CSCCCCc1c[nH]c2ccccc12 |
|
AD17332 | 2.0 | 525.59 | C26H32O4N7F | O=CNCc1cn(CCCCCN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)nn1 |
|
AD17333 | 0.77 | 112.16 | C4H4N2S | Sc1ncccn1 |
|
AD17334 | 2.95 | 315.31 | C14H22O5NP | COP(=O)(Oc1ccccc1)N(C)CCOC(=O)C(C)C |
|
AD17335 | 5.47 | 322.24 | C17H11N2Cl2S | Cc1ccc(CSC2=Nc3cc(Cl)c(Cl)cc3[N]2)cc1 |
|
AD17336 | 2.69 | 236.26 | C13H10N5 | C=CC1=Nc2c(ncnc2Nc2ccccc2)[N]1 |
|
AD17337 | 1.53 | 298.29 | C13H12O2N7 | Nc1nc(NCCc2ccc([N+](=O)[O-])cc2)nc2c1N=C[N]2 |
|
AD17338 | 1.63 | 283.31 | C14H15ON6 | COc1ccccc1CCNc1nc(N)nc2c1N=C[N]2 |
|
AD17339 | 3.09 | 211.26 | C14H13ON | Oc1ccc(N2CCc3ccccc32)cc1 |
|
AD17340 | -2.08 | 278.26 | C10H18O7N2 | COC(=O)NC1CC(NC(=O)OC)C(O)C(O)C1O |