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DocumentationIdentifier: MM264908
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM264908 |
| SMILES |
C#CC(=O)OC(=C)C#CC
|
| InChIKey |
VSCKQXAJSTXKDM-UHFFFAOYSA-N
|
| MW [Da] |
134.13
Automatically obtained from RDkit software. |
| LogP |
0.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135951
Similarity: 0.8376
Similarity to MM135951
| Tanimoto metric | 0.8376 |
|---|---|
| Cosine metric | 0.9152 |
| Dice metric | 0.9116 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43314
Similarity: 0.812
Similarity to MM43314
| Tanimoto metric | 0.812 |
|---|---|
| Cosine metric | 0.9011 |
| Dice metric | 0.8962 |
| MW: | 120.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264909
Similarity: 0.7939
Similarity to MM264909
| Tanimoto metric | 0.7939 |
|---|---|
| Cosine metric | 0.8851 |
| Dice metric | 0.8851 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+177 more
