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DocumentationIdentifier: MM94955
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94955 |
| SMILES |
C#CC(=O)C(C#C)OC=C
|
| InChIKey |
OOIWTZZMZZAISV-UHFFFAOYSA-N
|
| MW [Da] |
134.13
Automatically obtained from RDkit software. |
| LogP |
0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM53490
Similarity: 0.7762
Similarity to MM53490
| Tanimoto metric | 0.7762 |
|---|---|
| Cosine metric | 0.881 |
| Dice metric | 0.874 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172860
Similarity: 0.7413
Similarity to MM172860
| Tanimoto metric | 0.7413 |
|---|---|
| Cosine metric | 0.861 |
| Dice metric | 0.8514 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM353300
Similarity: 0.6503
Similarity to MM353300
| Tanimoto metric | 0.6503 |
|---|---|
| Cosine metric | 0.7897 |
| Dice metric | 0.7881 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+83 more
