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DocumentationIdentifier: MM386296
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386296 |
| SMILES |
C=CC(=CCC=O)CC=O
|
| InChIKey |
HMLWEEGSSBYKBD-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201738
Similarity: 0.8434
Similarity to MM201738
| Tanimoto metric | 0.8434 |
|---|---|
| Cosine metric | 0.9184 |
| Dice metric | 0.915 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386292
Similarity: 0.7813
Similarity to MM386292
| Tanimoto metric | 0.7813 |
|---|---|
| Cosine metric | 0.8776 |
| Dice metric | 0.8772 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274694
Similarity: 0.7596
Similarity to MM274694
| Tanimoto metric | 0.7596 |
|---|---|
| Cosine metric | 0.8671 |
| Dice metric | 0.8634 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+431 more
