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DocumentationIdentifier: MM103290
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM103290 |
| SMILES |
CC(F)C(C)(F)C#N
|
| InChIKey |
WYTWBNLLKJAPQS-UHFFFAOYSA-N
|
| MW [Da] |
119.11
Automatically obtained from RDkit software. |
| LogP |
1.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM102580
Similarity: 0.7531
Similarity to MM102580
| Tanimoto metric | 0.7531 |
|---|---|
| Cosine metric | 0.8605 |
| Dice metric | 0.8592 |
| MW: | 119.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM01628
Similarity: 0.6522
Similarity to MM01628
| Tanimoto metric | 0.6522 |
|---|---|
| Cosine metric | 0.8076 |
| Dice metric | 0.7895 |
| MW: | 133.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103287
Similarity: 0.619
Similarity to MM103287
| Tanimoto metric | 0.619 |
|---|---|
| Cosine metric | 0.7688 |
| Dice metric | 0.7647 |
| MW: | 115.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+272 more
