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Documentation2-(fluoromethyl)-2-methylbutanoic Acid
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM01599 |
| SMILES |
CCC(C)(CF)C(=O)O
|
| InChIKey |
HZYHGRMDEUMBQK-UHFFFAOYSA-N
|
| MW [Da] |
134.15
Automatically obtained from RDkit software. |
| LogP |
1.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
118120133
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM313663
Similarity: 0.8455
Similarity to MM313663
| Tanimoto metric | 0.8455 |
|---|---|
| Cosine metric | 0.9195 |
| Dice metric | 0.9163 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM244354
Similarity: 0.8
Similarity to MM244354
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243803
Similarity: 0.7647
Similarity to MM243803
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8667 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+232 more
