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DocumentationIdentifier: MM234912
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM234912 |
| SMILES |
C=CC(=O)C(C)(C)C(C)=O
|
| InChIKey |
JMJBLHJMPLXDFH-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM350855
Similarity: 0.735
Similarity to MM350855
| Tanimoto metric | 0.735 |
|---|---|
| Cosine metric | 0.851 |
| Dice metric | 0.8473 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM389969
Similarity: 0.6277
Similarity to MM389969
| Tanimoto metric | 0.6277 |
|---|---|
| Cosine metric | 0.7713 |
| Dice metric | 0.7713 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM234832
Similarity: 0.6074
Similarity to MM234832
| Tanimoto metric | 0.6074 |
|---|---|
| Cosine metric | 0.756 |
| Dice metric | 0.7558 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+194 more
