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DocumentationIdentifier: MM282397
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM282397 |
| SMILES |
C=CCC=CC(=O)C=CF
|
| InChIKey |
LPSRUBLRUIUIIY-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
MM154284
Similarity: 0.76
Similarity to MM154284
| Tanimoto metric | 0.76 |
|---|---|
| Cosine metric | 0.8685 |
| Dice metric | 0.8636 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107752
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| Tanimoto metric | 0.7534 |
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| Cosine metric | 0.868 |
| Dice metric | 0.8594 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM169992
Similarity: 0.7123
Similarity to MM169992
| Tanimoto metric | 0.7123 |
|---|---|
| Cosine metric | 0.844 |
| Dice metric | 0.832 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+382 more
