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DocumentationIdentifier: MM46171
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM46171 |
| SMILES |
C#CCC(=O)COC=O
|
| InChIKey |
WZYHJCZRNYOZLL-UHFFFAOYSA-N
|
| MW [Da] |
126.11
Automatically obtained from RDkit software. |
| LogP |
-0.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM113184
Similarity: 0.75
Similarity to MM113184
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156250
Similarity: 0.6452
Similarity to MM156250
| Tanimoto metric | 0.6452 |
|---|---|
| Cosine metric | 0.7851 |
| Dice metric | 0.7843 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293665
Similarity: 0.6349
Similarity to MM293665
| Tanimoto metric | 0.6349 |
|---|---|
| Cosine metric | 0.7968 |
| Dice metric | 0.7767 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+33 more
