| ID LINK | NAME | STRUCTURE CAS | CLOGP | CLOGS | MW | FREQ | DURGS WITH THIS FRAGMENT |
|---|---|---|---|---|---|---|---|
| FDBF04848 | [(1S)-2-methyl-4-oxocyclopent-2-en-1-yl] (1S)-2,2-dimethylcyclopropane-1-carboxylate |
|
2.387 | -2.123 | 208.254 | 0.0003 | d-fanshiluquebingjuzhi , ( Total 1 Pesticides) |
| FDBF04760 | [(1S)-2-methyl-4-oxocyclopent-2-en-1-yl] formate |
|
1.059 | -0.727 | 140.137 | 0.0031 | cinerins ,cinerin I ,cinerin II ,jasmolin I ,jasmolin II ,pyrethrin I ,pyrethrin II ,d-fanshiluquebingjuzhi ,chloroprallethrin , ( Total 9 Pesticides) |
| FDBF03242 | [(1S,2S)-2-phenylcyclopropyl]methanamine |
|
2.123 | -2.034 | 147.217 | 0.0003 |
Milnacipran , ( Total
1 Medicines )
|
| FDBF01465 | [(1S,3R,7R,8aR)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methylpropanoate |
|
2.771 | -2.309 | 248.361 | 0.0003 |
Simvastatin , ( Total
1 Medicines )
|
| FDBF00461 | [(1S,3R,7R,8aR)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] formate |
|
1.975 | -1.487 | 206.281 | 0.0007 |
Lovastatin ,Simvastatin , ( Total
2 Medicines )
|
| FDBF00457 | [(1S,3R,7R,8aR)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] propanoate |
|
2.559 | -2.280 | 234.334 | 0.0003 |
Lovastatin , ( Total
1 Medicines )
|
| FDBF01466 | [(1S,3R,7S,8S,8aR)-3,7,8-trimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methylpropanoate |
|
2.875 | -2.463 | 262.387 | 0.0003 |
Simvastatin , ( Total
1 Medicines )
|
| FDBF00455 | [(1S,3R,7S,8S,8aR)-3,7,8-trimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] formate |
|
2.055 | -1.645 | 220.307 | 0.0007 |
Lovastatin ,Simvastatin , ( Total
2 Medicines )
|
| FDBF00459 | [(1S,3R,7S,8S,8aR)-3,7,8-trimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] propanoate |
|
2.657 | -2.435 | 248.361 | 0.0003 |
Lovastatin , ( Total
1 Medicines )
|
| FDBF00458 | [(1S,3R,7S,8S,8aR)-8-ethyl-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] formate |
|
2.429 | -2.049 | 234.334 | 0.0007 |
Lovastatin ,Simvastatin , ( Total
2 Medicines )
|
5919 ,
592
