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DocumentationIdentifier: MM379790
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM379790 |
| SMILES |
N#CC#CC(CF)CC=O
|
| InChIKey |
YRVOPZCXZGNKPI-UHFFFAOYSA-N
|
| MW [Da] |
139.13
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
MM379694
Similarity: 0.7182
Similarity to MM379694
| Tanimoto metric | 0.7182 |
|---|---|
| Cosine metric | 0.8369 |
| Dice metric | 0.836 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158411
Similarity: 0.6869
Similarity to MM158411
| Tanimoto metric | 0.6869 |
|---|---|
| Cosine metric | 0.8288 |
| Dice metric | 0.8144 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379846
Similarity: 0.681
Similarity to MM379846
| Tanimoto metric | 0.681 |
|---|---|
| Cosine metric | 0.8104 |
| Dice metric | 0.8103 |
| MW: | 138.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+215 more
