aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04101 | 0.67 | 69.06 | C3H3ON | c1cnoc1 |
|
AD04102 | 3.49 | 293.8 | C16H20ON3Cl | Cc1cc(OCCCCc2cn(C)nn2)cc(C)c1Cl |
|
AD04103 | 2.25 | 472.66 | C22H24O2N4S3 | CSCCNC(=S)NCCNC(=S)NCc1ccc2c(c1)C(=O)c1ccccc1C2=O |
|
AD04104 | 2.69 | 403.49 | C22H25ON7 | CN1CCN(c2ccc3nc(-c4ccc(OCc5cn(C)nn5)cc4)[nH]c3c2)CC1 |
|
AD04105 | -0.48 | 136.13 | C6H6ON3 | C=CC1=C(C(N)=O)N=C[N]1 |
|
AD04106 | 1.41 | 249.27 | C13H15O4N | CNCCOc1cc(=O)oc2c(C)c(O)ccc12 |
|
AD04107 | 5.63 | 396.64 | C24H46O3N | CCCCCCCCCCCC(=O)N(C)CCCCCCCCCCC(=O)[O-] |
|
AD04108 | 1.21 | 150.22 | C9H14N2 | CN(C)c1ccc(CN)cc1 |
|
AD04109 | -1.06 | 152.11 | C5H4O2N4 | O=c1[nH]c(=O)c2[nH]ncc2[nH]1 |
|
AD04110 | 4.7 | 430.44 | C22H27O5N2P | COP(=O)(NC(COC(=O)C(C)C)Cc1c[nH]c2ccccc12)Oc1ccccc1 |