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DocumentationIdentifier: MM248137
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM248137 |
| SMILES |
C#CC(F)C=C(F)C(N)=O
|
| InChIKey |
HGOTYKMBWQISHT-UHFFFAOYSA-N
|
| MW [Da] |
145.11
Automatically obtained from RDkit software. |
| LogP |
0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM134312
Similarity: 0.7563
Similarity to MM134312
| Tanimoto metric | 0.7563 |
|---|---|
| Cosine metric | 0.8696 |
| Dice metric | 0.8612 |
| MW: | 135.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274962
Similarity: 0.5241
Similarity to MM274962
| Tanimoto metric | 0.5241 |
|---|---|
| Cosine metric | 0.693 |
| Dice metric | 0.6877 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228467
Similarity: 0.5213
Similarity to MM228467
| Tanimoto metric | 0.5213 |
|---|---|
| Cosine metric | 0.6902 |
| Dice metric | 0.6853 |
| MW: | 145.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+76 more
