aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD17111 | -1.42 | 257.34 | C6H15O4N3S2 | CONS(=O)(=O)NC(=O)C(N)CCSC |
|
AD17112 | 4.39 | 280.76 | C18H13N2Cl | Clc1ccccc1Cc1ncc(-c2ccccc2)cn1 |
|
AD17113 | 2.05 | 160.18 | C9H8ON2 | Cc1ccc(-c2nnco2)cc1 |
|
AD17114 | 6.06 | 415.51 | C25H21O3NS | COc1cc(OC)c(-c2cc3ccccc3s2)cc1C=CC(=O)c1ccc(N)cc1 |
|
AD17115 | 4.73 | 276.49 | C15H32O2S | CCCCCCCCCCCCCCS(C)(=O)=O |
|
AD17116 | -0.34 | 157.09 | C4H6O2NF3 | O=C(NCCO)C(F)(F)F |
|
AD17117 | 2.41 | 267.34 | C15H17N5 | CC(Cc1ccccc1)Nc1ncnc2c1ncn2C |
|
AD17118 | 3.45 | 237.07 | C12H4N3Cl2 | Clc1cc2cc3c(nc2cc1Cl)[N]C=N3 |
|
AD17119 | 4.26 | 402.48 | C23H24O2N5 | COc1cc(OC)cc(C(CNc2ncnc3c2N=C[N]3)c2c(C)cccc2C)c1 |
|
AD17120 | 5.59 | 1482.39 | C76H78O19N10Cl2 | CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)c(CNCc5ccc(-c6ccc(Cl)cc6)cc5)c(O)c4-c4cc3ccc4O)C(OC3CC(C)(N)C(O)C(C)O3)c3cccc(c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |