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DocumentationIdentifier: MM91989
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM91989 |
| SMILES |
O=CC#CCOC(=O)CO
|
| InChIKey |
CQRICTOWFOAJPV-UHFFFAOYSA-N
|
| MW [Da] |
142.11
Automatically obtained from RDkit software. |
| LogP |
-1.28
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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MM48901
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Similarity to MM48901
| Tanimoto metric | 0.8675 |
|---|---|
| Cosine metric | 0.9314 |
| Dice metric | 0.929 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91968
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Similarity to MM91968
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9006 |
| Dice metric | 0.9 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM153513
Similarity: 0.7831
Similarity to MM153513
| Tanimoto metric | 0.7831 |
|---|---|
| Cosine metric | 0.8849 |
| Dice metric | 0.8784 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+240 more
