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DocumentationIdentifier: MM360846
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM360846 |
| SMILES |
C=CC(=O)C(F)=CCCF
|
| InChIKey |
IFFINIJBOUQDBX-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
1.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM175592
Similarity: 0.8522
Similarity to MM175592
| Tanimoto metric | 0.8522 |
|---|---|
| Cosine metric | 0.9231 |
| Dice metric | 0.9202 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163877
Similarity: 0.7826
Similarity to MM163877
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8847 |
| Dice metric | 0.878 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM360844
Similarity: 0.7576
Similarity to MM360844
| Tanimoto metric | 0.7576 |
|---|---|
| Cosine metric | 0.8621 |
| Dice metric | 0.8621 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+250 more
