| ID LINK | NAME | STRUCTURE CAS | CLOGP | CLOGS | MW | FREQ | DURGS WITH THIS FRAGMENT |
|---|---|---|---|---|---|---|---|
| FDBF00157 | [(1S,3S,7R,8aR)-3-hydroxy-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] formate |
|
0.992 | -0.525 | 208.254 | 0.0003 |
Pravastatin , ( Total
1 Medicines )
|
| FDBF00148 | [(1S,3S,7R,8aR)-3-hydroxy-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] propanoate |
|
1.569 | -1.318 | 236.307 | 0.0003 |
Pravastatin , ( Total
1 Medicines )
|
| FDBF00147 | [(1S,3S,7S,8S,8aR)-3-hydroxy-7,8-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] formate |
|
1.068 | -0.683 | 222.280 | 0.0003 |
Pravastatin , ( Total
1 Medicines )
|
| FDBF00153 | [(1S,3S,7S,8S,8aR)-3-hydroxy-7,8-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] propanoate |
|
1.663 | -1.473 | 250.333 | 0.0003 |
Pravastatin , ( Total
1 Medicines )
|
| FDBF00150 | [(1S,3S,7S,8S,8aR)-8-ethyl-3-hydroxy-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] formate |
|
1.439 | -1.087 | 236.307 | 0.0003 |
Pravastatin , ( Total
1 Medicines )
|
| FDBF05387 | [(1S,5R)-3,5-dimethyl-4-oxocyclopent-2-en-1-yl] (1S)-2,2-dimethylcyclopropane-1-carboxylate |
|
2.478 | -2.281 | 222.280 | 0.0052 | cinerins ,cinerin I ,cinerin II ,jasmolin I ,jasmolin II ,pyrethrin I ,pyrethrin II ,allethrin ,bioallethrin ,esdépalléthrine , ( Total 15 Pesticides) |
| FDBF05385 | [(1S,5R)-3,5-dimethyl-4-oxocyclopent-2-en-1-yl] formate |
|
1.110 | -0.895 | 154.163 | 0.0052 | cinerins ,cinerin I ,cinerin II ,jasmolin I ,jasmolin II ,pyrethrin I ,pyrethrin II ,allethrin ,bioallethrin ,esdépalléthrine , ( Total 15 Pesticides) |
| FDBF05386 | [(1S,5R)-5-methyl-4-oxocyclopent-2-en-1-yl] (1S)-2,2-dimethylcyclopropane-1-carboxylate |
|
1.993 | -1.673 | 208.254 | 0.0052 | cinerins ,cinerin I ,cinerin II ,jasmolin I ,jasmolin II ,pyrethrin I ,pyrethrin II ,allethrin ,bioallethrin ,esdépalléthrine , ( Total 15 Pesticides) |
| FDBF05388 | [(1S,5R)-5-methyl-4-oxocyclopent-2-en-1-yl] formate |
|
0.665 | -0.277 | 140.137 | 0.0052 | cinerins ,cinerin I ,cinerin II ,jasmolin I ,jasmolin II ,pyrethrin I ,pyrethrin II ,allethrin ,bioallethrin ,esdépalléthrine , ( Total 15 Pesticides) |
| FDBF01168 | [(1S,5R)-8,8-dimethyl-8λ4-azabicyclo[3.2.1]octan-3-yl] 2-methylpropanoate |
|
-0.925 | -2.477 | 226.335 | 0.0003 |
Anisotropine Methylbromide , ( Total
1 Medicines )
|
5919 ,
592
