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DocumentationIdentifier: MM70284
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM70284 |
| SMILES |
C=CC(CCC(C)=O)NC
|
| InChIKey |
LUYONDZNJBLUNE-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 |
Similar entries
MM70238
Similarity: 0.7431
Similarity to MM70238
| 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
|
MM403313
Similarity: 0.7179
Similarity to MM403313
| Tanimoto metric | 0.7179 |
|---|---|
| Cosine metric | 0.8388 |
| Dice metric | 0.8358 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM92701
Similarity: 0.6881
Similarity to MM92701
| Tanimoto metric | 0.6881 |
|---|---|
| Cosine metric | 0.8295 |
| Dice metric | 0.8152 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+484 more
