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DocumentationIdentifier: MM379694
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM379694 |
| SMILES |
CCC#CC(CF)CC=O
|
| InChIKey |
CCRJXKCRNWASMY-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
1.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM431726
Similarity: 0.7732
Similarity to MM431726
| Tanimoto metric | 0.7732 |
|---|---|
| Cosine metric | 0.873 |
| Dice metric | 0.8721 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379846
Similarity: 0.7383
Similarity to MM379846
| Tanimoto metric | 0.7383 |
|---|---|
| Cosine metric | 0.8499 |
| Dice metric | 0.8495 |
| MW: | 138.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379790
Similarity: 0.7182
Similarity to MM379790
| Tanimoto metric | 0.7182 |
|---|---|
| Cosine metric | 0.8369 |
| Dice metric | 0.836 |
| MW: | 139.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+445 more
