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DocumentationIdentifier: MM286878
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM286878 |
| SMILES |
C=CCOC(C)C(=O)O
|
| InChIKey |
NYNJMVZFPBGZPU-UHFFFAOYSA-N
|
| MW [Da] |
130.14
Automatically obtained from RDkit software. |
| LogP |
0.66
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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MM276184
Similarity: 0.7414
Similarity to MM276184
| Tanimoto metric | 0.7414 |
|---|---|
| Cosine metric | 0.861 |
| Dice metric | 0.8515 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM16411
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Similarity to MM16411
| Tanimoto metric | 0.7113 |
|---|---|
| Cosine metric | 0.8319 |
| Dice metric | 0.8313 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274585
Similarity: 0.6832
Similarity to MM274585
| Tanimoto metric | 0.6832 |
|---|---|
| Cosine metric | 0.8118 |
| Dice metric | 0.8118 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+117 more
