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DocumentationIdentifier: MM98434
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM98434 |
| SMILES |
CC(C)C(F)C=O
|
| InChIKey |
YPPAVZZTVSKNNE-UHFFFAOYSA-N
|
| MW [Da] |
104.12
Automatically obtained from RDkit software. |
| LogP |
1.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM102571
Similarity: 0.7692
Similarity to MM102571
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
2-fluorobutanal
Similarity: 0.75
Similarity to 2-fluorobutanal
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 90.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111544
Similarity: 0.678
Similarity to MM111544
| Tanimoto metric | 0.678 |
|---|---|
| Cosine metric | 0.8234 |
| Dice metric | 0.8081 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+216 more
