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DocumentationIdentifier: MM339421
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM339421 |
| SMILES |
COC(=CC(F)=CF)CO
|
| InChIKey |
XXKFPCFHAODAPS-UHFFFAOYSA-N
|
| MW [Da] |
150.12
Automatically obtained from RDkit software. |
| LogP |
1.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150999
Similarity: 0.7626
Similarity to MM150999
| Tanimoto metric | 0.7626 |
|---|---|
| Cosine metric | 0.8733 |
| Dice metric | 0.8653 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM143903
Similarity: 0.7338
Similarity to MM143903
| Tanimoto metric | 0.7338 |
|---|---|
| Cosine metric | 0.8566 |
| Dice metric | 0.8465 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM339419
Similarity: 0.6506
Similarity to MM339419
| Tanimoto metric | 0.6506 |
|---|---|
| Cosine metric | 0.7884 |
| Dice metric | 0.7883 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+99 more
