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DocumentationIdentifier: MM234835
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM234835 |
| SMILES |
C=CC(=O)C(C)(C)C(C)O
|
| InChIKey |
HLYIKFHLEMCIEJ-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132909
Similarity: 0.6875
Similarity to MM132909
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8292 |
| Dice metric | 0.8148 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM389144
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| Tanimoto metric | 0.6707 |
|---|---|
| Cosine metric | 0.804 |
| Dice metric | 0.8029 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM243728
Similarity: 0.6463
Similarity to MM243728
| Tanimoto metric | 0.6463 |
|---|---|
| Cosine metric | 0.7869 |
| Dice metric | 0.7852 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+157 more
