| ID LINK | NAME | STRUCTURE CAS | CLOGP | CLOGS | MW | FREQ | DURGS WITH THIS FRAGMENT |
|---|---|---|---|---|---|---|---|
| FDBF01770 | 1-(dihydroxy-λ3-sulfanyl)butane |
|
-1.228 | -0.401 | 123.194 | 0.0007 |
Tirofiban , ( Total
1 Medicines )
buthiuron , ( Total 1 Pesticides) |
| FDBF04812 | methoxy-N-methylphosphonamidic acid |
|
-1.227 | 0.153 | 125.064 | 0.0007 | crufomate ,pirimetaphos , ( Total 2 Pesticides) |
| FDBF03111 | N-methoxyhydroxylamine |
|
-1.222 | 0.681 | 63.056 | 0.0003 |
Amyl Nitrite , ( Total
1 Medicines )
|
| FDBF00119 | methylurea |
|
-1.216 | 0.225 | 74.082 | 0.0065 |
L-Citrulline ,Carmustine ,Streptozocin ,Ritonavir ,Chlormerodrin ,Lomustine ,Boceprevir ,Ceftolozane ,Cobicistat , ( Total
9 Medicines )
benzthiazuron ,cumyluron ,buturon ,chlorbromuron ,linuron ,metobenzuron ,metobromuron ,monolinuron ,neburon ,tribenuron , ( Total 10 Pesticides) |
| FDBF02372 | acetohydrazide |
|
-1.216 | 0.225 | 74.082 | 0.0003 |
Atazanavir , ( Total
1 Medicines )
|
| FDBF00305 | [(1'S,5'R)-spiro[2,3,4,5-tetrahydropyrrole-1,8'-8λ4-azabicyclo[3.2.1]octane]-3'-yl] formate |
|
-1.210 | -1.987 | 210.293 | 0.0003 |
Trospium , ( Total
1 Medicines )
|
| FDBF02691 | 3-propyl-1H-benzimidazol-2-one |
|
-1.202 | -2.534 | 176.215 | 0.0003 |
Domperidone , ( Total
1 Medicines )
|
| FDBF03454 | (dihydroxy-λ3-sulfanyl)cyclopropane |
|
-1.190 | 0.624 | 107.151 | 0.0010 |
Simeprevir ,Paritaprevir ,Grazoprevir , ( Total
3 Medicines )
|
| FDBF06216 | N-methyl-N-methylsulfonylacetamide |
|
-1.189 | -0.234 | 151.184 | 0.0003 | huangcaoling , ( Total 1 Pesticides) |
| FDBF00725 | 2-(1-formyl-2-methyl-indol-3-yl)acetic acid |
|
-1.188 | -1.771 | 217.221 | 0.0003 |
Indomethacin , ( Total
1 Medicines )
|
5919 ,
592
