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DocumentationIdentifier: MM163876
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM163876 |
| SMILES |
CCCC=C(F)C(C)=O
|
| InChIKey |
KBPDXIHCBKEFJA-UHFFFAOYSA-N
|
| MW [Da] |
130.16
Automatically obtained from RDkit software. |
| LogP |
2.23
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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MM295002
Similarity: 0.8911
Similarity to MM295002
| Tanimoto metric | 0.8911 |
|---|---|
| Cosine metric | 0.944 |
| Dice metric | 0.9424 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM295137
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Similarity to MM295137
| Tanimoto metric | 0.8824 |
|---|---|
| Cosine metric | 0.9393 |
| Dice metric | 0.9375 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM295006
Similarity: 0.8738
Similarity to MM295006
| Tanimoto metric | 0.8738 |
|---|---|
| Cosine metric | 0.9348 |
| Dice metric | 0.9326 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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