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DocumentationIdentifier: MM377228
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM377228 |
| SMILES |
C#CC(OC=C)C(F)C=O
|
| InChIKey |
BQZKHYJTZOZEPY-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM15869
Similarity: 0.7885
Similarity to MM15869
| Tanimoto metric | 0.7885 |
|---|---|
| Cosine metric | 0.888 |
| Dice metric | 0.8817 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172199
Similarity: 0.6987
Similarity to MM172199
| Tanimoto metric | 0.6987 |
|---|---|
| Cosine metric | 0.8359 |
| Dice metric | 0.8226 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239011
Similarity: 0.62
Similarity to MM239011
| Tanimoto metric | 0.62 |
|---|---|
| Cosine metric | 0.766 |
| Dice metric | 0.7654 |
| MW: | 148.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+51 more
