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DocumentationIdentifier: MM343782
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM343782 |
| SMILES |
CCC(C=CC(C)=O)NC
|
| InChIKey |
HAZMLHJEESLRGK-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM67118
Similarity: 0.7431
Similarity to MM67118
| Tanimoto metric | 0.7431 |
|---|---|
| Cosine metric | 0.862 |
| Dice metric | 0.8526 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM321646
Similarity: 0.704
Similarity to MM321646
| Tanimoto metric | 0.704 |
|---|---|
| Cosine metric | 0.8265 |
| Dice metric | 0.8263 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377615
Similarity: 0.6772
Similarity to MM377615
| Tanimoto metric | 0.6772 |
|---|---|
| Cosine metric | 0.8077 |
| Dice metric | 0.8075 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+458 more
