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DocumentationIdentifier: MM410003
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM410003 |
| SMILES |
CCOCCC(=CF)CC
|
| InChIKey |
QNEDLYJXDKYNRC-UHFFFAOYSA-N
|
| MW [Da] |
146.21
Automatically obtained from RDkit software. |
| LogP |
2.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199755
Similarity: 0.8391
Similarity to MM199755
| Tanimoto metric | 0.8391 |
|---|---|
| Cosine metric | 0.916 |
| Dice metric | 0.9125 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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| Tanimoto metric | 0.7931 |
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| Cosine metric | 0.8906 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM166363
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| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.851 |
| Dice metric | 0.84 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+456 more
