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DocumentationIdentifier: MM162092
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM162092 |
| SMILES |
CC(O)C(C)OCC=O
|
| InChIKey |
PLVZUDWABXMIGU-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
-0.03
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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MM54215
Similarity: 0.7674
Similarity to MM54215
| Tanimoto metric | 0.7674 |
|---|---|
| Cosine metric | 0.8687 |
| Dice metric | 0.8684 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254631
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| Tanimoto metric | 0.7573 |
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| Cosine metric | 0.8702 |
| Dice metric | 0.8619 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM108087
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Similarity to MM108087
| Tanimoto metric | 0.7179 |
|---|---|
| Cosine metric | 0.8473 |
| Dice metric | 0.8358 |
| MW: | 118.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+374 more
