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DocumentationIdentifier: MM23885
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM23885 |
| SMILES |
CC(C)(F)C#N
|
| InChIKey |
REBAWHWWWIHOCJ-UHFFFAOYSA-N
|
| MW [Da] |
87.1
Automatically obtained from RDkit software. |
| LogP |
1.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM25764
Similarity: 0.8
Similarity to MM25764
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 98.08 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM23595
Similarity: 0.7143
Similarity to MM23595
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 73.07 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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2-fluoropropanedinitrile
Similarity: 0.6452
Similarity to 2-fluoropropanedinitrile
| Tanimoto metric | 0.6452 |
|---|---|
| Cosine metric | 0.7881 |
| Dice metric | 0.7843 |
| MW: | 84.05 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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