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DocumentationIdentifier: MM112084
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM112084 |
| SMILES |
C=C(CC)C(=O)CC
|
| InChIKey |
WNKMCRYLXHOCNN-UHFFFAOYSA-N
|
| MW [Da] |
112.17
Automatically obtained from RDkit software. |
| LogP |
1.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173590
Similarity: 0.8133
Similarity to MM173590
| Tanimoto metric | 0.8133 |
|---|---|
| Cosine metric | 0.9018 |
| Dice metric | 0.8971 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM108453
Similarity: 0.7941
Similarity to MM108453
| Tanimoto metric | 0.7941 |
|---|---|
| Cosine metric | 0.8852 |
| Dice metric | 0.8852 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108467
Similarity: 0.7681
Similarity to MM108467
| Tanimoto metric | 0.7681 |
|---|---|
| Cosine metric | 0.8689 |
| Dice metric | 0.8689 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+941 more
