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DocumentationIdentifier: MM67472
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM67472 |
| SMILES |
CNC=C(C=O)OC(C)=O
|
| InChIKey |
VIQCYMSSVHYXQF-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179224
Similarity: 0.7164
Similarity to MM179224
| Tanimoto metric | 0.7164 |
|---|---|
| Cosine metric | 0.8464 |
| Dice metric | 0.8348 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM276310
Similarity: 0.6543
Similarity to MM276310
| Tanimoto metric | 0.6543 |
|---|---|
| Cosine metric | 0.791 |
| Dice metric | 0.791 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM80794
Similarity: 0.6485
Similarity to MM80794
| Tanimoto metric | 0.6485 |
|---|---|
| Cosine metric | 0.7868 |
| Dice metric | 0.7868 |
| MW: | 139.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+41 more
