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Documentation3-fluorobutanoic Acid
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM03727 |
| SMILES |
CC(F)CC(=O)O
|
| InChIKey |
IVZLYBOVPBJRAG-UHFFFAOYSA-N
|
| MW [Da] |
106.1
Automatically obtained from RDkit software. |
| LogP |
0.82
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
15578254
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM32933
Similarity: 0.7761
Similarity to MM32933
| Tanimoto metric | 0.7761 |
|---|---|
| Cosine metric | 0.881 |
| Dice metric | 0.8739 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7429 |
|---|---|
| Cosine metric | 0.8619 |
| Dice metric | 0.8525 |
| MW: | 120.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | |||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM299311
Similarity: 0.7429
Similarity to MM299311
| Tanimoto metric | 0.7429 |
|---|---|
| Cosine metric | 0.8619 |
| Dice metric | 0.8525 |
| MW: | 122.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+336 more
