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DocumentationIdentifier: MM106318
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM106318 |
| SMILES |
C=CCC=CC(=C)F
|
| InChIKey |
QGGLPRDJSAAFOT-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
MM154289
Similarity: 0.9057
Similarity to MM154289
| Tanimoto metric | 0.9057 |
|---|---|
| Cosine metric | 0.9517 |
| Dice metric | 0.9505 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM97590
Similarity: 0.8333
Similarity to MM97590
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 100.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM170348
Similarity: 0.75
Similarity to MM170348
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+454 more
