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DocumentationIdentifier: MM329683
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM329683 |
| SMILES |
C=CC(=O)CC(C=C)CF
|
| InChIKey |
DIFRNPPWZHLZJI-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
1.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM149987
Similarity: 0.8108
Similarity to MM149987
| Tanimoto metric | 0.8108 |
|---|---|
| Cosine metric | 0.9005 |
| Dice metric | 0.8955 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM329172
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Similarity to MM329172
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8649 |
| Dice metric | 0.8649 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM245827
Similarity: 0.7481
Similarity to MM245827
| Tanimoto metric | 0.7481 |
|---|---|
| Cosine metric | 0.8574 |
| Dice metric | 0.8559 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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