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DocumentationIdentifier: MM284372
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM284372 |
| SMILES |
C=CC=C(F)C=CC=CC
|
| InChIKey |
ASTWTAPTUUSENG-UHFFFAOYSA-N
|
| MW [Da] |
138.19
Automatically obtained from RDkit software. |
| LogP |
3.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM367389
Similarity: 0.873
Similarity to MM367389
| Tanimoto metric | 0.873 |
|---|---|
| Cosine metric | 0.9327 |
| Dice metric | 0.9322 |
| MW: | 138.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107981
Similarity: 0.8197
Similarity to MM107981
| Tanimoto metric | 0.8197 |
|---|---|
| Cosine metric | 0.9054 |
| Dice metric | 0.9009 |
| MW: | 112.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159831
Similarity: 0.8
Similarity to MM159831
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8897 |
| Dice metric | 0.8889 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+228 more
