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Documentation4-fluoro-2,2-dimethylbutanoic Acid
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM01600 |
| SMILES |
CC(C)(CCF)C(=O)O
|
| InChIKey |
RFCPBGIHACKTAX-UHFFFAOYSA-N
|
| MW [Da] |
134.15
Automatically obtained from RDkit software. |
| LogP |
1.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
80697264
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM222152
Similarity: 0.8036
Similarity to MM222152
| Tanimoto metric | 0.8036 |
|---|---|
| Cosine metric | 0.8964 |
| Dice metric | 0.8911 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
|
| LogP: | 1.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34407
Similarity: 0.7556
Similarity to MM34407
| Tanimoto metric | 0.7556 |
|---|---|
| Cosine metric | 0.8692 |
| Dice metric | 0.8608 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM234643
Similarity: 0.7377
Similarity to MM234643
| Tanimoto metric | 0.7377 |
|---|---|
| Cosine metric | 0.8589 |
| Dice metric | 0.8491 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+255 more
