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DocumentationIdentifier: MM292762
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM292762 |
| SMILES |
C#CCC(O)C(C)OC=O
|
| InChIKey |
QZFCDKLFWIGAHE-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
-0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM49978
Similarity: 0.7373
Similarity to MM49978
| Tanimoto metric | 0.7373 |
|---|---|
| Cosine metric | 0.8587 |
| Dice metric | 0.8488 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305175
Similarity: 0.7153
Similarity to MM305175
| Tanimoto metric | 0.7153 |
|---|---|
| Cosine metric | 0.8341 |
| Dice metric | 0.834 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM45820
Similarity: 0.6525
Similarity to MM45820
| Tanimoto metric | 0.6525 |
|---|---|
| Cosine metric | 0.8078 |
| Dice metric | 0.7897 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+61 more
