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DocumentationIdentifier: MM293708
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM293708 |
| SMILES |
C=C(C=CC=CF)C(C)=O
|
| InChIKey |
PKIMMVNKAFLCEZ-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
MM163437
Similarity: 0.8155
Similarity to MM163437
| Tanimoto metric | 0.8155 |
|---|---|
| Cosine metric | 0.9031 |
| Dice metric | 0.8984 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293706
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| Tanimoto metric | 0.7456 |
|---|---|
| Cosine metric | 0.8548 |
| Dice metric | 0.8543 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM396015
Similarity: 0.7405
Similarity to MM396015
| Tanimoto metric | 0.7405 |
|---|---|
| Cosine metric | 0.8549 |
| Dice metric | 0.8509 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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