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DocumentationIdentifier: MM246137
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM246137 |
| SMILES |
CC(O)C(=O)CN(C)C=O
|
| InChIKey |
WCXOWPIIVAMHHI-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-0.98
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162493
Similarity: 0.7442
Similarity to MM162493
| Tanimoto metric | 0.7442 |
|---|---|
| Cosine metric | 0.8627 |
| Dice metric | 0.8533 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142306
Similarity: 0.6744
Similarity to MM142306
| Tanimoto metric | 0.6744 |
|---|---|
| Cosine metric | 0.8212 |
| Dice metric | 0.8056 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM438699
Similarity: 0.6589
Similarity to MM438699
| Tanimoto metric | 0.6589 |
|---|---|
| Cosine metric | 0.8117 |
| Dice metric | 0.7944 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+39 more
