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DocumentationIdentifier: MM288077
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM288077 |
| SMILES |
NC(=O)C=CCC#CC=O
|
| InChIKey |
YOIJFGYEDCWKNA-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
-0.38
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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Similarity to MM308744
| Tanimoto metric | 0.8353 |
|---|---|
| Cosine metric | 0.9103 |
| Dice metric | 0.9103 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM49086
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| Tanimoto metric | 0.8161 |
|---|---|
| Cosine metric | 0.8987 |
| Dice metric | 0.8987 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM299905
Similarity: 0.703
Similarity to MM299905
| Tanimoto metric | 0.703 |
|---|---|
| Cosine metric | 0.8283 |
| Dice metric | 0.8256 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+324 more
