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DocumentationIdentifier: MM159437
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM159437 |
| SMILES |
C#CC#CC(F)=CC#C
|
| InChIKey |
DHSVSEWNUSEHMD-UHFFFAOYSA-N
|
| MW [Da] |
118.11
Automatically obtained from RDkit software. |
| LogP |
1.11
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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MM361228
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| Tanimoto metric | 0.9324 |
|---|---|
| Cosine metric | 0.9656 |
| Dice metric | 0.965 |
| MW: | 132.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM114655
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| Tanimoto metric | 0.8696 |
|---|---|
| Cosine metric | 0.9325 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+214 more
