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DocumentationIdentifier: MM323349
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM323349 |
| SMILES |
C#CC(=O)C#CC(C)OC
|
| InChIKey |
ILVLWDMQHKWSMJ-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146030
Similarity: 0.8077
Similarity to MM146030
| Tanimoto metric | 0.8077 |
|---|---|
| Cosine metric | 0.8987 |
| Dice metric | 0.8936 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44208
Similarity: 0.75
Similarity to MM44208
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM252730
Similarity: 0.7
Similarity to MM252730
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8237 |
| Dice metric | 0.8235 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+168 more
