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DocumentationIdentifier: MM355978
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355978 |
| SMILES |
COCOC(=O)CNC=O
|
| InChIKey |
JEOXZTFTSXIWFJ-UHFFFAOYSA-N
|
| MW [Da] |
147.13
Automatically obtained from RDkit software. |
| LogP |
-1.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM113178
Similarity: 0.6701
Similarity to MM113178
| Tanimoto metric | 0.6701 |
|---|---|
| Cosine metric | 0.8186 |
| Dice metric | 0.8025 |
| MW: | 117.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM287144
Similarity: 0.5888
Similarity to MM287144
| Tanimoto metric | 0.5888 |
|---|---|
| Cosine metric | 0.7487 |
| Dice metric | 0.7412 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46078
Similarity: 0.5739
Similarity to MM46078
| Tanimoto metric | 0.5739 |
|---|---|
| Cosine metric | 0.7312 |
| Dice metric | 0.7293 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+111 more
