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DocumentationIdentifier: MM154527
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM154527 |
| SMILES |
C=CC#CC=CC(=O)O
|
| InChIKey |
QZYHHLXYEUUULF-UHFFFAOYSA-N
|
| MW [Da] |
122.12
Automatically obtained from RDkit software. |
| LogP |
0.82
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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MM289771
Similarity: 0.9701
Similarity to MM289771
| Tanimoto metric | 0.9701 |
|---|---|
| Cosine metric | 0.985 |
| Dice metric | 0.9848 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM106406
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| Tanimoto metric | 0.8923 |
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| Cosine metric | 0.9446 |
| Dice metric | 0.9431 |
| MW: | 110.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM399772
Similarity: 0.7838
Similarity to MM399772
| Tanimoto metric | 0.7838 |
|---|---|
| Cosine metric | 0.8789 |
| Dice metric | 0.8788 |
| MW: | 124.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+173 more
