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DocumentationIdentifier: MM270037
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM270037 |
| SMILES |
C#CC(N)C(O)C=C(F)F
|
| InChIKey |
BFYOFBSFRRZBRI-UHFFFAOYSA-N
|
| MW [Da] |
147.12
Automatically obtained from RDkit software. |
| LogP |
0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174095
Similarity: 0.837
Similarity to MM174095
| Tanimoto metric | 0.837 |
|---|---|
| Cosine metric | 0.9149 |
| Dice metric | 0.9113 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM134086
Similarity: 0.7185
Similarity to MM134086
| Tanimoto metric | 0.7185 |
|---|---|
| Cosine metric | 0.8477 |
| Dice metric | 0.8362 |
| MW: | 137.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43106
Similarity: 0.642
Similarity to MM43106
| Tanimoto metric | 0.642 |
|---|---|
| Cosine metric | 0.7837 |
| Dice metric | 0.782 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+150 more
