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DocumentationIdentifier: MM107981
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM107981 |
| SMILES |
C=CC=C(F)C=CC
|
| InChIKey |
WMQVVAPVJWPBMU-UHFFFAOYSA-N
|
| MW [Da] |
112.15
Automatically obtained from RDkit software. |
| LogP |
2.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM159831
Similarity: 0.8929
Similarity to MM159831
| Tanimoto metric | 0.8929 |
|---|---|
| Cosine metric | 0.9449 |
| Dice metric | 0.9434 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM284372
Similarity: 0.8197
Similarity to MM284372
| Tanimoto metric | 0.8197 |
|---|---|
| Cosine metric | 0.9054 |
| Dice metric | 0.9009 |
| MW: | 138.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114411
Similarity: 0.8148
Similarity to MM114411
| Tanimoto metric | 0.8148 |
|---|---|
| Cosine metric | 0.8981 |
| Dice metric | 0.898 |
| MW: | 112.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+399 more
