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DocumentationIdentifier: MM237745
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM237745 |
| SMILES |
CC(C)CC(=O)C#CCF
|
| InChIKey |
FGSVJEBMSQFFGR-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
1.57
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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MM158479
Similarity: 0.8352
Similarity to MM158479
| Tanimoto metric | 0.8352 |
|---|---|
| Cosine metric | 0.9139 |
| Dice metric | 0.9102 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM135929
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| Tanimoto metric | 0.7802 |
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| Cosine metric | 0.8833 |
| Dice metric | 0.8765 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM358785
Similarity: 0.7451
Similarity to MM358785
| Tanimoto metric | 0.7451 |
|---|---|
| Cosine metric | 0.8541 |
| Dice metric | 0.8539 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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