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DocumentationIdentifier: MM252885
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM252885 |
| SMILES |
CCNC(=O)C#CC(N)=O
|
| InChIKey |
MIJGDMSMSBIPNN-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-1.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM282776
Similarity: 0.8652
Similarity to MM282776
| Tanimoto metric | 0.8652 |
|---|---|
| Cosine metric | 0.9288 |
| Dice metric | 0.9277 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8506 |
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| Cosine metric | 0.9223 |
| Dice metric | 0.9193 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM367862
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Similarity to MM367862
| Tanimoto metric | 0.7978 |
|---|---|
| Cosine metric | 0.8909 |
| Dice metric | 0.8875 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+308 more
