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DocumentationIdentifier: MM125645
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM125645 |
| SMILES |
NCCOCOC=O
|
| InChIKey |
OZHFKHJZVCFRNI-UHFFFAOYSA-N
|
| MW [Da] |
119.12
Automatically obtained from RDkit software. |
| LogP |
-0.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM213036
Similarity: 0.7931
Similarity to MM213036
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8684 |
| Dice metric | 0.8598 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.52 |
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| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6957 |
|---|---|
| Cosine metric | 0.8341 |
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| MW: | 105.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+220 more
