Log in
Browse 
Membranes
Search
Statistics
Lab
Documentation3-fluoro-4-oxobutanoic Acid
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM03541 |
| SMILES |
O=CC(F)CC(=O)O
|
| InChIKey |
NKQSXVJNXQTISU-UHFFFAOYSA-N
|
| MW [Da] |
120.08
Automatically obtained from RDkit software. |
| LogP | N/A |
| Links | |
|
PubChem |
55266111
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
3-fluorobutanoic Acid
Similarity: 0.7429
Similarity to 3-fluorobutanoic Acid
| Tanimoto metric | 0.7429 |
|---|---|
| Cosine metric | 0.8619 |
| Dice metric | 0.8525 |
| MW: | 106.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142270
Similarity: 0.7216
Similarity to MM142270
| Tanimoto metric | 0.7216 |
|---|---|
| Cosine metric | 0.8495 |
| Dice metric | 0.8383 |
| MW: | 134.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM299311
Similarity: 0.6667
Similarity to MM299311
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8 |
| Dice metric | 0.8 |
| MW: | 122.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+85 more
