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DocumentationIdentifier: MM282164
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM282164 |
| SMILES |
C=CCC(=O)C=CC=CF
|
| InChIKey |
XWEBQKRDTOAOAU-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
2.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170192
Similarity: 0.8902
Similarity to MM170192
| Tanimoto metric | 0.8902 |
|---|---|
| Cosine metric | 0.9435 |
| Dice metric | 0.9419 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158040
Similarity: 0.7927
Similarity to MM158040
| Tanimoto metric | 0.7927 |
|---|---|
| Cosine metric | 0.8903 |
| Dice metric | 0.8844 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358125
Similarity: 0.766
Similarity to MM358125
| Tanimoto metric | 0.766 |
|---|---|
| Cosine metric | 0.8675 |
| Dice metric | 0.8675 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+443 more
