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DocumentationIdentifier: MM370314
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM370314 |
| SMILES |
CCC(F)CCC#CC=O
|
| InChIKey |
SSSQHKHSKBCWEI-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
1.72
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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MM153434
Similarity: 0.8421
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| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9177 |
| Dice metric | 0.9143 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM167650
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| Tanimoto metric | 0.7895 |
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| Cosine metric | 0.8885 |
| Dice metric | 0.8824 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.54 |
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Total active interactions
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MM370203
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Similarity to MM370203
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8741 |
| Dice metric | 0.8696 |
| MW: | 142.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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