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DocumentationIdentifier: MM198033
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM198033 |
| SMILES |
CCC(=O)C(=CF)CC
|
| InChIKey |
DBVFONRLPYEHFO-UHFFFAOYSA-N
|
| MW [Da] |
130.16
Automatically obtained from RDkit software. |
| LogP |
2.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM416074
Similarity: 0.8319
Similarity to MM416074
| Tanimoto metric | 0.8319 |
|---|---|
| Cosine metric | 0.9121 |
| Dice metric | 0.9082 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112303
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| Tanimoto metric | 0.7872 |
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| Cosine metric | 0.8873 |
| Dice metric | 0.881 |
| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM416565
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Similarity to MM416565
| Tanimoto metric | 0.7769 |
|---|---|
| Cosine metric | 0.8814 |
| Dice metric | 0.8744 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+672 more
