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DocumentationIdentifier: MM175686
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM175686 |
| SMILES |
C#CC=C(F)C(=O)C#C
|
| InChIKey |
BFNSNSVINHNCCL-UHFFFAOYSA-N
|
| MW [Da] |
122.1
Automatically obtained from RDkit software. |
| LogP |
0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM112364
Similarity: 0.8131
Similarity to MM112364
| Tanimoto metric | 0.8131 |
|---|---|
| Cosine metric | 0.9017 |
| Dice metric | 0.8969 |
| MW: | 112.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM175663
Similarity: 0.685
Similarity to MM175663
| Tanimoto metric | 0.685 |
|---|---|
| Cosine metric | 0.8131 |
| Dice metric | 0.8131 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM175680
Similarity: 0.6797
Similarity to MM175680
| Tanimoto metric | 0.6797 |
|---|---|
| Cosine metric | 0.8093 |
| Dice metric | 0.8093 |
| MW: | 126.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+141 more
