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DocumentationIdentifier: MM166619
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM166619 |
| SMILES |
C=COCCC(=O)CF
|
| InChIKey |
IIIISKFMAPFEJS-UHFFFAOYSA-N
|
| MW [Da] |
132.13
Automatically obtained from RDkit software. |
| LogP |
1.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM36301
Similarity: 0.7949
Similarity to MM36301
| Tanimoto metric | 0.7949 |
|---|---|
| Cosine metric | 0.8916 |
| Dice metric | 0.8857 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM33404
Similarity: 0.7051
Similarity to MM33404
| Tanimoto metric | 0.7051 |
|---|---|
| Cosine metric | 0.8397 |
| Dice metric | 0.8271 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166369
Similarity: 0.6889
Similarity to MM166369
| Tanimoto metric | 0.6889 |
|---|---|
| Cosine metric | 0.8161 |
| Dice metric | 0.8158 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+278 more
