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DocumentationIdentifier: MM102610
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM102610 |
| SMILES |
C#CC(F)C(F)(F)F
|
| InChIKey |
KBPLFXYUWHXTEQ-UHFFFAOYSA-N
|
| MW [Da] |
126.05
Automatically obtained from RDkit software. |
| LogP |
1.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM98451
Similarity: 0.7586
Similarity to MM98451
| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.871 |
| Dice metric | 0.8627 |
| MW: | 108.06 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108745
Similarity: 0.6164
Similarity to MM108745
| Tanimoto metric | 0.6164 |
|---|---|
| Cosine metric | 0.7628 |
| Dice metric | 0.7627 |
| MW: | 122.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231689
Similarity: 0.6105
Similarity to MM231689
| Tanimoto metric | 0.6105 |
|---|---|
| Cosine metric | 0.7814 |
| Dice metric | 0.7582 |
| MW: | 156.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+179 more
