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DocumentationIdentifier: MM97281
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM97281 |
| SMILES |
CC(F)(C#N)CF
|
| InChIKey |
YLERSPYQAQLFFT-UHFFFAOYSA-N
|
| MW [Da] |
105.09
Automatically obtained from RDkit software. |
| LogP |
1.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM35212
Similarity: 0.807
Similarity to MM35212
| Tanimoto metric | 0.807 |
|---|---|
| Cosine metric | 0.8983 |
| Dice metric | 0.8932 |
| MW: | 116.07 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM24500
Similarity: 0.6522
Similarity to MM24500
| Tanimoto metric | 0.6522 |
|---|---|
| Cosine metric | 0.8076 |
| Dice metric | 0.7895 |
| MW: | 91.06 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103290
Similarity: 0.6133
Similarity to MM103290
| Tanimoto metric | 0.6133 |
|---|---|
| Cosine metric | 0.7832 |
| Dice metric | 0.7603 |
| MW: | 119.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+115 more
