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DocumentationIdentifier: MM106642
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM106642 |
| SMILES |
O=CC=CC=C(F)F
|
| InChIKey |
RWCNVYJSGSEMNM-UHFFFAOYSA-N
|
| MW [Da] |
118.08
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
MM28159
Similarity: 0.7556
Similarity to MM28159
| Tanimoto metric | 0.7556 |
|---|---|
| Cosine metric | 0.8692 |
| Dice metric | 0.8608 |
| MW: | 100.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM97674
Similarity: 0.6889
Similarity to MM97674
| Tanimoto metric | 0.6889 |
|---|---|
| Cosine metric | 0.83 |
| Dice metric | 0.8158 |
| MW: | 104.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM290610
Similarity: 0.6721
Similarity to MM290610
| Tanimoto metric | 0.6721 |
|---|---|
| Cosine metric | 0.8095 |
| Dice metric | 0.8039 |
| MW: | 144.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+242 more
