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DocumentationIdentifier: MM289533
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM289533 |
| SMILES |
NC(=O)C=C(C=O)C=O
|
| InChIKey |
FYKBZFGEBBEPAY-UHFFFAOYSA-N
|
| MW [Da] |
127.1
Automatically obtained from RDkit software. |
| LogP |
-1.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM292281
Similarity: 0.7292
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| Tanimoto metric | 0.7292 |
|---|---|
| Cosine metric | 0.8539 |
| Dice metric | 0.8434 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM339159
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| Tanimoto metric | 0.7292 |
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| Cosine metric | 0.8539 |
| Dice metric | 0.8434 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM52787
Similarity: 0.6667
Similarity to MM52787
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8063 |
| Dice metric | 0.8 |
| MW: | 127.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+16 more
