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DocumentationIdentifier: MM130328
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM130328 |
| SMILES |
C=CC(F)=CC(F)(F)F
|
| InChIKey |
PZNRRAKTFFQSLY-UHFFFAOYSA-N
|
| MW [Da] |
140.08
Automatically obtained from RDkit software. |
| LogP |
2.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM104959
Similarity: 0.8116
Similarity to MM104959
| Tanimoto metric | 0.8116 |
|---|---|
| Cosine metric | 0.9009 |
| Dice metric | 0.896 |
| MW: | 122.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM102471
Similarity: 0.7391
Similarity to MM102471
| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.8597 |
| Dice metric | 0.85 |
| MW: | 128.07 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM136547
Similarity: 0.6914
Similarity to MM136547
| Tanimoto metric | 0.6914 |
|---|---|
| Cosine metric | 0.8175 |
| Dice metric | 0.8175 |
| MW: | 136.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+320 more
