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DocumentationIdentifier: MM371948
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM371948 |
| SMILES |
C#CC(F)=CC#CCOC
|
| InChIKey |
LOKHWLZOYXOWIU-UHFFFAOYSA-N
|
| MW [Da] |
138.14
Automatically obtained from RDkit software. |
| LogP |
1.12
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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MM171708
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| Tanimoto metric | 0.8471 |
|---|---|
| Cosine metric | 0.9204 |
| Dice metric | 0.9172 |
| MW: | 124.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.51 |
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MM284525
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| Tanimoto metric | 0.7525 |
|---|---|
| Cosine metric | 0.8594 |
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| MW: | 138.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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