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DocumentationIdentifier: MM40786
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM40786 |
| SMILES |
CC(=O)NC(C)C(C)=O
|
| InChIKey |
IRVPUNRJDRXQBL-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
0.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM67995
Similarity: 0.8182
Similarity to MM67995
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM245922
Similarity: 0.7444
Similarity to MM245922
| Tanimoto metric | 0.7444 |
|---|---|
| Cosine metric | 0.8628 |
| Dice metric | 0.8534 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM150028
Similarity: 0.7222
Similarity to MM150028
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8405 |
| Dice metric | 0.8387 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+143 more
