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DocumentationIdentifier: MM116170
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM116170 |
| SMILES |
CCOC(C=O)C=O
|
| InChIKey |
NCHGZSINISCKJV-UHFFFAOYSA-N
|
| MW [Da] |
116.12
Automatically obtained from RDkit software. |
| LogP |
-0.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM15840
Similarity: 0.8364
Similarity to MM15840
| Tanimoto metric | 0.8364 |
|---|---|
| Cosine metric | 0.9145 |
| Dice metric | 0.9109 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM97956
Similarity: 0.8261
Similarity to MM97956
| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9089 |
| Dice metric | 0.9048 |
| MW: | 102.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM54368
Similarity: 0.807
Similarity to MM54368
| Tanimoto metric | 0.807 |
|---|---|
| Cosine metric | 0.8983 |
| Dice metric | 0.8932 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+186 more
