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DocumentationIdentifier: MM78432
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM78432 |
| SMILES |
C#CC(C#C)(C=O)C(C)=O
|
| InChIKey |
UNNQGWPCNMRPCH-UHFFFAOYSA-N
|
| MW [Da] |
134.13
Automatically obtained from RDkit software. |
| LogP |
0.03
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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MM42705
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| Tanimoto metric | 0.7379 |
|---|---|
| Cosine metric | 0.859 |
| Dice metric | 0.8492 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM244546
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| Tanimoto metric | 0.7016 |
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| Cosine metric | 0.8249 |
| Dice metric | 0.8246 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM313863
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Similarity to MM313863
| Tanimoto metric | 0.6692 |
|---|---|
| Cosine metric | 0.8029 |
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| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+29 more
