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DocumentationIdentifier: MM160701
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM160701 |
| SMILES |
C=CC(=C)N(C)C(C)=O
|
| InChIKey |
NOCUUXIUTQIUCA-UHFFFAOYSA-N
|
| MW [Da] |
125.17
Automatically obtained from RDkit software. |
| LogP |
1.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM350905
Similarity: 0.7125
Similarity to MM350905
| Tanimoto metric | 0.7125 |
|---|---|
| Cosine metric | 0.8441 |
| Dice metric | 0.8321 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34931
Similarity: 0.7105
Similarity to MM34931
| Tanimoto metric | 0.7105 |
|---|---|
| Cosine metric | 0.8429 |
| Dice metric | 0.8308 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM104647
Similarity: 0.6316
Similarity to MM104647
| Tanimoto metric | 0.6316 |
|---|---|
| Cosine metric | 0.7947 |
| Dice metric | 0.7742 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+251 more
