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DocumentationIdentifier: MM156592
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM156592 |
| SMILES |
C=CCOC(=C)CC=O
|
| InChIKey |
ANDMOVHKMUVMFP-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
1.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM278932
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| Tanimoto metric | 0.8105 |
|---|---|
| Cosine metric | 0.9003 |
| Dice metric | 0.8953 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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| Cosine metric | 0.8528 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.11 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM351213
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| Tanimoto metric | 0.7196 |
|---|---|
| Cosine metric | 0.8483 |
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| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+226 more
