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DocumentationIdentifier: MM158479
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM158479 |
| SMILES |
CCCC(=O)C#CCF
|
| InChIKey |
LBQWAMVCZONLMS-UHFFFAOYSA-N
|
| MW [Da] |
128.15
Automatically obtained from RDkit software. |
| LogP |
1.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM358785
Similarity: 0.8736
Similarity to MM358785
| Tanimoto metric | 0.8736 |
|---|---|
| Cosine metric | 0.9346 |
| Dice metric | 0.9325 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM237745
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| Tanimoto metric | 0.8352 |
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| Cosine metric | 0.9139 |
| Dice metric | 0.9102 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM358781
Similarity: 0.7917
Similarity to MM358781
| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.8898 |
| Dice metric | 0.8837 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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