| ID LINK | NAME | STRUCTURE CAS | CLOGP | CLOGS | MW | FREQ | DURGS WITH THIS FRAGMENT |
|---|---|---|---|---|---|---|---|
| FDBF00092 | (1S)-3,5,5-trimethylcyclohex-2-en-1-ol |
|
1.982 | -1.616 | 140.223 | 0.0003 |
Xanthophyll , ( Total
1 Medicines )
|
| FDBF00093 | methyldisulfanylmethane |
|
0.779 | -0.786 | 94.199 | 0.0003 |
L-Cystine , ( Total
1 Medicines )
|
| FDBF00094 | (2S)-propane-1,2-diol |
|
-0.544 | 0.558 | 76.094 | 0.0065 |
Riboflavin ,Tetrahydrobiopterin ,Cidofovir ,Carteolol ,Propranolol ,Dyphylline ,Chlorphenesin ,Pindolol ,Cromoglicic acid ,Nadolol , ( Total
16 Medicines )
pyriproxyfen ,ecdysterone ,tritac , ( Total 3 Pesticides) |
| FDBF00095 | N-(2-oxoethyl)acetamide |
|
-0.187 | -0.544 | 101.104 | 0.0003 |
N-Acetyl-D-glucosamine , ( Total
1 Medicines )
|
| FDBF00096 | 3-hydroxypropanal |
|
-0.066 | 0.071 | 74.079 | 0.0010 |
N-Acetyl-D-glucosamine ,Metrizamide , ( Total
2 Medicines )
aureofungin , ( Total 1 Pesticides) |
| FDBF00097 | (3R)-3,4-dihydroxybutanal |
|
-0.340 | 0.535 | 104.105 | 0.0007 |
N-Acetyl-D-glucosamine ,Metrizamide , ( Total
2 Medicines )
|
| FDBF00098 | acetaldehyde |
|
-0.008 | 0.019 | 44.053 | 0.0182 |
N-Acetyl-D-glucosamine ,Medrysone ,Fluorometholone ,Methadone ,Megestrol acetate ,Dydrogesterone ,Progesterone ,Droperidol ,Nabumetone ,Haloperidol , ( Total
42 Medicines )
kelevan ,acetoprole ,butroxydim ,benzofenap ,pyrazoxyfen ,aureofungin ,fenjuntong ,climbazole ,triadimefon ,quinacetol , ( Total 11 Pesticides) |
| FDBF00099 | ethanethiol |
|
0.445 | -0.614 | 62.134 | 0.0165 |
Glutathione ,Nelfinavir ,Montelukast ,Cimetidine ,Nizatidine ,Butoconazole ,Malathion ,Ranitidine ,Famotidine ,Echothiophate , ( Total
17 Medicines )
EMPC ,ethiofencarb ,bensultap ,thiosultap ,amiton ,cadusafos ,demephion-S ,demeton ,demeton-O ,demeton-S , ( Total 31 Pesticides) |
| FDBF00100 | ethyl formate |
|
0.082 | -0.227 | 74.079 | 0.0244 |
Phosphatidylserine ,Ramipril ,Succinylcholine ,Oxyphenonium ,Etomidate ,Pethidine ,Hexylcaine ,Trandolapril ,Benazepril ,Valaciclovir , ( Total
51 Medicines )
benfuracarb ,alanycarb ,ethyl formate ,kelevan ,phenthoate ,acethion ,acetophos ,malathion ,methylacetophos ,pyrazophos , ( Total 20 Pesticides) |
| FDBF00101 | methyl acetate |
|
-0.072 | -0.209 | 74.079 | 0.0151 |
Phosphatidylserine ,Aspartame ,Esmolol ,Succinylcholine ,Amcinonide ,Valrubicin ,Methylphenidate ,Famciclovir ,Cefalotin ,Verteporfin , ( Total
36 Medicines )
butonate ,valerate ,plifenate ,tiafenacil ,flucetosulfuron ,pefurazoate ,valifenalate ,fenitropan , ( Total 8 Pesticides) |
5919 ,
592
