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DocumentationIdentifier: MM386298
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386298 |
| SMILES |
C=CC(=CCC#N)CC=O
|
| InChIKey |
IJFXPKOLKPNIFD-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
1.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM386296
Similarity: 0.7212
Similarity to MM386296
| Tanimoto metric | 0.7212 |
|---|---|
| Cosine metric | 0.8402 |
| Dice metric | 0.838 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM201739
Similarity: 0.7188
Similarity to MM201739
| Tanimoto metric | 0.7188 |
|---|---|
| Cosine metric | 0.8478 |
| Dice metric | 0.8364 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386292
Similarity: 0.7037
Similarity to MM386292
| Tanimoto metric | 0.7037 |
|---|---|
| Cosine metric | 0.8269 |
| Dice metric | 0.8261 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+254 more
