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DocumentationIdentifier: MM386456
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386456 |
| SMILES |
CCN(C(C)=O)C(C)C=O
|
| InChIKey |
KVGHCPQSFAPBFI-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM387790
Similarity: 0.8796
Similarity to MM387790
| Tanimoto metric | 0.8796 |
|---|---|
| Cosine metric | 0.9379 |
| Dice metric | 0.936 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334180
Similarity: 0.8214
Similarity to MM334180
| Tanimoto metric | 0.8214 |
|---|---|
| Cosine metric | 0.9035 |
| Dice metric | 0.902 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388052
Similarity: 0.6923
Similarity to MM388052
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8216 |
| Dice metric | 0.8182 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+237 more
