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DocumentationIdentifier: MM162393
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM162393 |
| SMILES |
COCCC(=O)C(C)O
|
| InChIKey |
ASKCQVHRCXFJOT-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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MM73162
Similarity: 0.8723
Similarity to MM73162
| Tanimoto metric | 0.8723 |
|---|---|
| Cosine metric | 0.934 |
| Dice metric | 0.9318 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM302353
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Similarity to MM302353
| Tanimoto metric | 0.8119 |
|---|---|
| Cosine metric | 0.901 |
| Dice metric | 0.8962 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM108343
Similarity: 0.7439
Similarity to MM108343
| Tanimoto metric | 0.7439 |
|---|---|
| Cosine metric | 0.8625 |
| Dice metric | 0.8531 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+440 more
