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DocumentationIdentifier: MM37709
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM37709 |
| SMILES |
N#CC(C#N)OC=O
|
| InChIKey |
KPDGMUYVUYGIFD-UHFFFAOYSA-N
|
| MW [Da] |
110.07
Automatically obtained from RDkit software. |
| LogP |
-0.42
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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MM26284
Similarity: 0.8431
Similarity to MM26284
| Tanimoto metric | 0.8431 |
|---|---|
| Cosine metric | 0.9182 |
| Dice metric | 0.9149 |
| MW: | 99.09 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6986 |
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| Cosine metric | 0.8358 |
| Dice metric | 0.8226 |
| MW: | 124.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM42392
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Similarity to MM42392
| Tanimoto metric | 0.6986 |
|---|---|
| Cosine metric | 0.8358 |
| Dice metric | 0.8226 |
| MW: | 124.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+33 more
