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DocumentationIdentifier: MM274585
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM274585 |
| SMILES |
CCCOC(C)C(=O)O
|
| InChIKey |
CPCVNVLTHQVAPE-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
0.89
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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MM273550
Similarity: 0.84
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| Tanimoto metric | 0.84 |
|---|---|
| Cosine metric | 0.9165 |
| Dice metric | 0.913 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM16411
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| Tanimoto metric | 0.7447 |
|---|---|
| Cosine metric | 0.8539 |
| Dice metric | 0.8537 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM286878
Similarity: 0.6832
Similarity to MM286878
| Tanimoto metric | 0.6832 |
|---|---|
| Cosine metric | 0.8118 |
| Dice metric | 0.8118 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+171 more
