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DocumentationIdentifier: MM225314
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM225314 |
| SMILES |
C=CC(=O)C#CC(C)(C)F
|
| InChIKey |
KVUMPLNRCSHYGY-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
1.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130533
Similarity: 0.7364
Similarity to MM130533
| Tanimoto metric | 0.7364 |
|---|---|
| Cosine metric | 0.8581 |
| Dice metric | 0.8482 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7177 |
|---|---|
| Cosine metric | 0.8361 |
| Dice metric | 0.8357 |
| MW: | 138.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM323305
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Similarity to MM323305
| Tanimoto metric | 0.6794 |
|---|---|
| Cosine metric | 0.8091 |
| Dice metric | 0.8091 |
| MW: | 144.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+259 more
