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DocumentationIdentifier: MM245922
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM245922 |
| SMILES |
C#CC(=O)NC(C)C(C)=O
|
| InChIKey |
MMXWRHQOWXUPQV-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
-0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40786
Similarity: 0.7444
Similarity to MM40786
| Tanimoto metric | 0.7444 |
|---|---|
| Cosine metric | 0.8628 |
| Dice metric | 0.8534 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM145213
Similarity: 0.6617
Similarity to MM145213
| Tanimoto metric | 0.6617 |
|---|---|
| Cosine metric | 0.8134 |
| Dice metric | 0.7964 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142429
Similarity: 0.6541
Similarity to MM142429
| Tanimoto metric | 0.6541 |
|---|---|
| Cosine metric | 0.8088 |
| Dice metric | 0.7909 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+31 more
