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DocumentationIdentifier: MM54383
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM54383 |
| SMILES |
C=CC(C=C)CCC=O
|
| InChIKey |
LKWFRVUMZQIVRK-UHFFFAOYSA-N
|
| MW [Da] |
124.18
Automatically obtained from RDkit software. |
| LogP |
1.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM112848
Similarity: 0.8519
Similarity to MM112848
| Tanimoto metric | 0.8519 |
|---|---|
| Cosine metric | 0.923 |
| Dice metric | 0.92 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM327924
Similarity: 0.806
Similarity to MM327924
| Tanimoto metric | 0.806 |
|---|---|
| Cosine metric | 0.8978 |
| Dice metric | 0.8926 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM309366
Similarity: 0.75
Similarity to MM309366
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+389 more
