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DocumentationIdentifier: MM291885
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM291885 |
| SMILES |
C=COCCC(=O)CCO
|
| InChIKey |
OETWQRKKAVHKHF-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM166617
Similarity: 0.92
Similarity to MM166617
| Tanimoto metric | 0.92 |
|---|---|
| Cosine metric | 0.9592 |
| Dice metric | 0.9583 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM366755
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Similarity to MM366755
| Tanimoto metric | 0.7753 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8734 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM291884
Similarity: 0.7753
Similarity to MM291884
| Tanimoto metric | 0.7753 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8734 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+326 more
