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DocumentationIdentifier: MM260686
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM260686 |
| SMILES |
CC(C=O)C=CC=C(F)F
|
| InChIKey |
DSNIVWBSTRBPCL-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
2.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170113
Similarity: 0.8514
Similarity to MM170113
| Tanimoto metric | 0.8514 |
|---|---|
| Cosine metric | 0.9227 |
| Dice metric | 0.9197 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155051
Similarity: 0.7703
Similarity to MM155051
| Tanimoto metric | 0.7703 |
|---|---|
| Cosine metric | 0.8777 |
| Dice metric | 0.8702 |
| MW: | 132.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM133407
Similarity: 0.7162
Similarity to MM133407
| Tanimoto metric | 0.7162 |
|---|---|
| Cosine metric | 0.8463 |
| Dice metric | 0.8346 |
| MW: | 132.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+510 more
