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DocumentationIdentifier: MM225253
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM225253 |
| SMILES |
C#CC(F)C#CC(C)(F)F
|
| InChIKey |
DBOMNJZSKKGLOB-UHFFFAOYSA-N
|
| MW [Da] |
146.11
Automatically obtained from RDkit software. |
| LogP |
1.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM228581
Similarity: 0.7865
Similarity to MM228581
| Tanimoto metric | 0.7865 |
|---|---|
| Cosine metric | 0.8814 |
| Dice metric | 0.8805 |
| MW: | 150.07 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM241629
Similarity: 0.7753
Similarity to MM241629
| Tanimoto metric | 0.7753 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8734 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130514
Similarity: 0.7711
Similarity to MM130514
| Tanimoto metric | 0.7711 |
|---|---|
| Cosine metric | 0.8781 |
| Dice metric | 0.8707 |
| MW: | 136.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+492 more
