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DocumentationIdentifier: MM174357
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM174357 |
| SMILES |
CCC(C)C(=O)C=CF
|
| InChIKey |
ZLNYSUSVAUVEGJ-UHFFFAOYSA-N
|
| MW [Da] |
130.16
Automatically obtained from RDkit software. |
| LogP |
2.08
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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MM294497
Similarity: 0.8431
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| Tanimoto metric | 0.8431 |
|---|---|
| Cosine metric | 0.9182 |
| Dice metric | 0.9149 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM294423
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| Tanimoto metric | 0.8037 |
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| Cosine metric | 0.8965 |
| Dice metric | 0.8912 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.47 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM299416
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Similarity to MM299416
| Tanimoto metric | 0.8037 |
|---|---|
| Cosine metric | 0.8965 |
| Dice metric | 0.8912 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+571 more
