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DocumentationIdentifier: MM376148
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376148 |
| SMILES |
COCC(OC)C(O)C=O
|
| InChIKey |
CMKSKJBKHWDBND-UHFFFAOYSA-N
|
| MW [Da] |
148.16
Automatically obtained from RDkit software. |
| LogP |
-0.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM196888
Similarity: 0.7983
Similarity to MM196888
| Tanimoto metric | 0.7983 |
|---|---|
| Cosine metric | 0.8935 |
| Dice metric | 0.8879 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM400576
Similarity: 0.7895
Similarity to MM400576
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8824 |
| Dice metric | 0.8824 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406757
Similarity: 0.7612
Similarity to MM406757
| Tanimoto metric | 0.7612 |
|---|---|
| Cosine metric | 0.8644 |
| Dice metric | 0.8644 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+236 more
