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DocumentationIdentifier: MM97191
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM97191 |
| SMILES |
C=C(C)OC(C)=O
|
| InChIKey |
HETCEOQFVDFGSY-UHFFFAOYSA-N
|
| MW [Da] |
100.12
Automatically obtained from RDkit software. |
| LogP |
1.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM104668
Similarity: 0.6944
Similarity to MM104668
| Tanimoto metric | 0.6944 |
|---|---|
| Cosine metric | 0.8333 |
| Dice metric | 0.8197 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM33109
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Similarity to MM33109
| Tanimoto metric | 0.6944 |
|---|---|
| Cosine metric | 0.8333 |
| Dice metric | 0.8197 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM104627
Similarity: 0.6944
Similarity to MM104627
| Tanimoto metric | 0.6944 |
|---|---|
| Cosine metric | 0.8333 |
| Dice metric | 0.8197 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+421 more
