| ID LINK | NAME | STRUCTURE CAS | CLOGP | CLOGS | MW | FREQ | DURGS WITH THIS FRAGMENT |
|---|---|---|---|---|---|---|---|
| FDBF00201 | 4-[(2S)-2,3-dimethylbutyl]benzene-1,2-diol |
|
2.743 | -2.460 | 194.270 | 0.0003 |
Masoprocol , ( Total
1 Medicines )
|
| FDBF00202 | 4-[(2R)-2,3-dimethylbutyl]benzene-1,2-diol |
|
2.743 | -2.460 | 194.270 | 0.0003 |
Masoprocol , ( Total
1 Medicines )
|
| FDBF00206 | 3-(4-chlorophenyl)propanoic acid |
|
2.519 | -2.591 | 184.620 | 0.0003 |
Baclofen , ( Total
1 Medicines )
|
| FDBF00207 | 2-(4-chlorophenyl)ethanamine |
|
2.404 | -2.843 | 155.625 | 0.0003 |
Baclofen , ( Total
1 Medicines )
|
| FDBF00210 | (2R,5R)-2-methylspiro[1,3-oxathiolane-5,3'-quinuclidine] |
|
1.837 | -1.477 | 199.313 | 0.0003 |
Cevimeline , ( Total
1 Medicines )
|
| FDBF00226 | N-ethylpyrazine-2-carboxamide |
|
0.699 | -1.973 | 151.166 | 0.0003 |
Bortezomib , ( Total
1 Medicines )
|
| FDBF00237 | (E,3R)-1-chloropent-1-en-3-ol |
|
1.139 | -0.803 | 120.577 | 0.0003 |
Ethchlorvynol , ( Total
1 Medicines )
|
| FDBF00238 | (3S)-pent-1-yn-3-ol |
|
0.511 | -0.118 | 84.116 | 0.0003 |
Ethchlorvynol , ( Total
1 Medicines )
|
| FDBF00245 | (1R,2S)-2-methylcyclohexanol |
|
1.560 | -0.841 | 114.185 | 0.0003 |
Tramadol , ( Total
1 Medicines )
|
| FDBF00246 | (1R,2R)-2-(dimethylaminomethyl)cyclohexanol |
|
0.927 | -1.013 | 157.253 | 0.0003 |
Tramadol , ( Total
1 Medicines )
|
5919 ,
592
