| ID LINK | NAME | STRUCTURE CAS | CLOGP | CLOGS | MW | FREQ | DURGS WITH THIS FRAGMENT |
|---|---|---|---|---|---|---|---|
| FDBF00141 | ethylbenzene |
|
2.700 | -2.363 | 106.165 | 0.0371 |
Aspartame ,Ramipril ,Esmolol ,Bortezomib ,Betaxolol ,Dofetilide ,Remikiren ,Glimepiride ,Indinavir ,Metoprolol , ( Total
90 Medicines )
fenethacarb ,fenobucarb ,epofenonane ,tebufenozide ,ethyl-DDD ,crotoxyphos ,flufenprox ,flufenerim ,alachlor ,amidochlor , ( Total 18 Pesticides) |
| FDBF00139 | methyl 2-formamidoacetate |
|
-0.495 | -0.309 | 117.103 | 0.0003 |
Aspartame , ( Total
1 Medicines )
|
| FDBF00138 | dithiolane |
|
2.542 | -0.862 | 106.210 | 0.0003 |
Lipoic Acid , ( Total
1 Medicines )
|
| FDBF00137 | (3R)-3-propyldithiolane |
|
2.756 | -1.877 | 148.289 | 0.0003 |
Lipoic Acid , ( Total
1 Medicines )
|
| FDBF00136 | (3R)-3-ethyldithiolane |
|
2.504 | -1.460 | 134.263 | 0.0003 |
Lipoic Acid , ( Total
1 Medicines )
|
| FDBF00135 | (3R)-3-methyldithiolane |
|
2.322 | -1.039 | 120.236 | 0.0003 |
Lipoic Acid , ( Total
1 Medicines )
|
| FDBF00134 | 2-methylpyridin-3-ol |
|
1.378 | -1.318 | 109.126 | 0.0003 |
Pyridoxine , ( Total
1 Medicines )
|
| FDBF00133 | 5-(hydroxymethyl)-2-methyl-pyridin-3-ol |
|
1.152 | -1.336 | 139.152 | 0.0003 |
Pyridoxine , ( Total
1 Medicines )
|
| FDBF00132 | 4-(hydroxymethyl)-2-methyl-pyridin-3-ol |
|
1.152 | -1.336 | 139.152 | 0.0003 |
Pyridoxine , ( Total
1 Medicines )
|
| FDBF00131 | (E,4S)-4-methylhept-2-ene |
|
2.316 | -1.929 | 112.213 | 0.0003 |
Vitamin E , ( Total
1 Medicines )
|
5919 ,
592
