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DocumentationIdentifier: MM252666
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM252666 |
| SMILES |
CC(F)C#CC(F)CC=O
|
| InChIKey |
FDFNZVZWGJHNDV-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
1.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM367594
Similarity: 0.8023
Similarity to MM367594
| Tanimoto metric | 0.8023 |
|---|---|
| Cosine metric | 0.8935 |
| Dice metric | 0.8903 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM145920
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Similarity to MM145920
| Tanimoto metric | 0.7262 |
|---|---|
| Cosine metric | 0.8522 |
| Dice metric | 0.8414 |
| MW: | 132.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM252663
Similarity: 0.7245
Similarity to MM252663
| Tanimoto metric | 0.7245 |
|---|---|
| Cosine metric | 0.8403 |
| Dice metric | 0.8402 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+510 more
