| ID LINK | NAME | STRUCTURE CAS | CLOGP | CLOGS | MW | FREQ | DURGS WITH THIS FRAGMENT |
|---|---|---|---|---|---|---|---|
| FDBF00102 | methyl propanoate |
|
0.282 | -0.647 | 88.105 | 0.0096 |
Phosphatidylserine ,Aspartame ,Esmolol ,Succinylcholine ,Valrubicin ,Beclomethasone ,Verteporfin ,Fosinopril ,Dextropropoxyphene ,Mycophenolate mofetil , ( Total
17 Medicines )
tiafenacil ,kuicaoxi ,propaquizafop ,benzfendizone ,funaihecaoling ,benalaxyl ,benalaxyl-M ,furalaxyl ,metalaxyl ,metalaxyl-M , ( Total 11 Pesticides) |
| FDBF00103 | ethyl acetate |
|
0.282 | -0.647 | 88.105 | 0.0127 |
Phosphatidylserine ,Ramipril ,Succinylcholine ,Famciclovir ,Trandolapril ,Benazepril ,Enalapril ,Mycophenolate mofetil ,Moexipril ,Porfimer , ( Total
26 Medicines )
benfuracarb ,alanycarb ,kelevan ,phenthoate ,acethion ,acetophos ,malathion ,methylacetophos ,triazamate ,clacyfos , ( Total 11 Pesticides) |
| FDBF00104 | methyl butanoate |
|
0.671 | -1.078 | 102.132 | 0.0021 |
Phosphatidylserine ,Misoprostol ,Clevidipine ,Glycerol Phenylbutyrate , ( Total
4 Medicines )
butonate ,pefurazoate , ( Total 2 Pesticides) |
| FDBF00105 | methyl formate |
|
-0.181 | 0.218 | 60.052 | 0.0323 |
Phosphatidylserine ,Aspartame ,Esmolol ,Succinylcholine ,Reserpine ,Oxyphenonium ,Vindesine ,Vinorelbine ,Oxyphencyclimine ,Valrubicin , ( Total
73 Medicines )
indoxacarb ,bifenthrin ,kappa-bifenthrin ,chlorempenthrin ,empenthrin ,furamethrin ,imiprothrin ,japothrins ,proparthrin ,tefluthrin , ( Total 21 Pesticides) |
| FDBF00106 | 3-hydroxy-2-methyl-pyridine-4-carbaldehyde |
|
1.460 | -1.453 | 137.136 | 0.0003 |
Pyridoxal , ( Total
1 Medicines )
|
| FDBF00107 | 2-(methylamino)acetic acid |
|
-0.803 | 0.002 | 89.093 | 0.0034 |
Creatine ,Gadodiamide ,Gadoversetamide ,Lisinopril ,Edetic Acid ,Gadofosveset trisodium ,Gadoxetate ,Technetium Tc 99m Mebrofenin , ( Total
8 Medicines )
glyphosate ,dodicin , ( Total 2 Pesticides) |
| FDBF00108 | 3,4-dimethylthiazole |
|
0.800 | -0.887 | 114.189 | 0.0003 |
Thiamine , ( Total
1 Medicines )
|
| FDBF00109 | 2,5-dimethylpyrimidin-4-amine |
|
1.061 | -1.871 | 123.156 | 0.0007 |
Thiamine ,Fursultiamine , ( Total
2 Medicines )
|
| FDBF00110 | 4,5-dimethylthiazole |
|
2.990 | -1.858 | 113.181 | 0.0003 |
Thiamine , ( Total
1 Medicines )
|
| FDBF00111 | 3,4,5-trimethylthiazole |
|
1.183 | -1.443 | 128.215 | 0.0003 |
Thiamine , ( Total
1 Medicines )
|
5919 ,
592
