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DocumentationIdentifier: MM323504
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM323504 |
| SMILES |
C=CC(=O)C#CC(F)C=C
|
| InChIKey |
JVIXLHUWKNRESS-UHFFFAOYSA-N
|
| MW [Da] |
138.14
Automatically obtained from RDkit software. |
| LogP |
1.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146065
Similarity: 0.8544
Similarity to MM146065
| Tanimoto metric | 0.8544 |
|---|---|
| Cosine metric | 0.9243 |
| Dice metric | 0.9215 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM225314
Similarity: 0.7177
Similarity to MM225314
| Tanimoto metric | 0.7177 |
|---|---|
| Cosine metric | 0.8361 |
| Dice metric | 0.8357 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM323535
Similarity: 0.7154
Similarity to MM323535
| Tanimoto metric | 0.7154 |
|---|---|
| Cosine metric | 0.8344 |
| Dice metric | 0.8341 |
| MW: | 136.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+198 more
