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DocumentationIdentifier: MM111656
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM111656 |
| SMILES |
N#CC(F)C(F)C#N
|
| InChIKey |
QZDWPKVFWKRREQ-UHFFFAOYSA-N
|
| MW [Da] |
116.07
Automatically obtained from RDkit software. |
| LogP |
0.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM98437
Similarity: 0.88
Similarity to MM98437
| Tanimoto metric | 0.88 |
|---|---|
| Cosine metric | 0.9381 |
| Dice metric | 0.9362 |
| MW: | 105.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM26276
Similarity: 0.76
Similarity to MM26276
| Tanimoto metric | 0.76 |
|---|---|
| Cosine metric | 0.8718 |
| Dice metric | 0.8636 |
| MW: | 98.08 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111580
Similarity: 0.6471
Similarity to MM111580
| Tanimoto metric | 0.6471 |
|---|---|
| Cosine metric | 0.7903 |
| Dice metric | 0.7857 |
| MW: | 119.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+92 more
