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DocumentationIdentifier: MM282467
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM282467 |
| SMILES |
CC=CC(=O)C=CC=CF
|
| InChIKey |
WPMJVKGYKHVXIC-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
MM170231
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Similarity to MM170231
| Tanimoto metric | 0.9296 |
|---|---|
| Cosine metric | 0.9641 |
| Dice metric | 0.9635 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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| Cosine metric | 0.8813 |
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| MW: | 144.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.08 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM106381
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| Tanimoto metric | 0.7606 |
|---|---|
| Cosine metric | 0.8721 |
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| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+298 more
