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DocumentationIdentifier: MM387387
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387387 |
| SMILES |
C=CCC(C=C)OCC=O
|
| InChIKey |
GBTQJJAQFRKIDC-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM387187
Similarity: 0.7196
Similarity to MM387187
| Tanimoto metric | 0.7196 |
|---|---|
| Cosine metric | 0.8394 |
| Dice metric | 0.837 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM155984
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| Tanimoto metric | 0.7172 |
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| Cosine metric | 0.8469 |
| Dice metric | 0.8353 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM341051
Similarity: 0.6975
Similarity to MM341051
| Tanimoto metric | 0.6975 |
|---|---|
| Cosine metric | 0.8219 |
| Dice metric | 0.8218 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+280 more
