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DocumentationIdentifier: MM47457
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM47457 |
| SMILES |
C#CC(=O)C(O)C(=C)C
|
| InChIKey |
QPEQFCFYERVJHL-UHFFFAOYSA-N
|
| MW [Da] |
124.14
Automatically obtained from RDkit software. |
| LogP |
0.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM82606
Similarity: 0.8113
Similarity to MM82606
| Tanimoto metric | 0.8113 |
|---|---|
| Cosine metric | 0.9007 |
| Dice metric | 0.8958 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350731
Similarity: 0.7771
Similarity to MM350731
| Tanimoto metric | 0.7771 |
|---|---|
| Cosine metric | 0.8815 |
| Dice metric | 0.8746 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82577
Similarity: 0.7679
Similarity to MM82577
| Tanimoto metric | 0.7679 |
|---|---|
| Cosine metric | 0.8763 |
| Dice metric | 0.8687 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+149 more
