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DocumentationIdentifier: MM97954
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM97954 |
| SMILES |
COCC(O)C=O
|
| InChIKey |
OHLOPQAAMJVRMC-UHFFFAOYSA-N
|
| MW [Da] |
104.11
Automatically obtained from RDkit software. |
| LogP |
-0.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM112798
Similarity: 0.7963
Similarity to MM112798
| Tanimoto metric | 0.7963 |
|---|---|
| Cosine metric | 0.8924 |
| Dice metric | 0.8866 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37552
Similarity: 0.7288
Similarity to MM37552
| Tanimoto metric | 0.7288 |
|---|---|
| Cosine metric | 0.8537 |
| Dice metric | 0.8431 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM36216
Similarity: 0.7167
Similarity to MM36216
| Tanimoto metric | 0.7167 |
|---|---|
| Cosine metric | 0.8466 |
| Dice metric | 0.835 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+352 more
