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DocumentationIdentifier: MM143903
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM143903 |
| SMILES |
COC(C)=CC(F)=CF
|
| InChIKey |
FJZDYDHWHVBBIE-UHFFFAOYSA-N
|
| MW [Da] |
134.13
Automatically obtained from RDkit software. |
| LogP |
2.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM268154
Similarity: 0.8226
Similarity to MM268154
| Tanimoto metric | 0.8226 |
|---|---|
| Cosine metric | 0.907 |
| Dice metric | 0.9027 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM248632
Similarity: 0.8031
Similarity to MM248632
| Tanimoto metric | 0.8031 |
|---|---|
| Cosine metric | 0.8962 |
| Dice metric | 0.8908 |
| MW: | 152.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM339417
Similarity: 0.75
Similarity to MM339417
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+341 more
