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DocumentationIdentifier: MM35582
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM35582 |
| SMILES |
C#CC(=O)C(C)OC
|
| InChIKey |
DWQMWBYLXROEES-UHFFFAOYSA-N
|
| MW [Da] |
112.13
Automatically obtained from RDkit software. |
| LogP |
0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172843
Similarity: 0.7864
Similarity to MM172843
| Tanimoto metric | 0.7864 |
|---|---|
| Cosine metric | 0.8868 |
| Dice metric | 0.8804 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172860
Similarity: 0.7642
Similarity to MM172860
| Tanimoto metric | 0.7642 |
|---|---|
| Cosine metric | 0.8742 |
| Dice metric | 0.8663 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174681
Similarity: 0.757
Similarity to MM174681
| Tanimoto metric | 0.757 |
|---|---|
| Cosine metric | 0.8701 |
| Dice metric | 0.8617 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+611 more
