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DocumentationIdentifier: MM244869
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM244869 |
| SMILES |
C#CC(C)CC(F)C(C)C
|
| InChIKey |
VPAAQHBQAMEWSB-UHFFFAOYSA-N
|
| MW [Da] |
142.22
Automatically obtained from RDkit software. |
| LogP |
2.64
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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| Tanimoto metric | 0.8642 |
|---|---|
| Cosine metric | 0.9296 |
| Dice metric | 0.9272 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8944 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.01 |
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|---|---|---|---|---|---|
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Total active interactions
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MM328297
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Similarity to MM328297
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8751 |
| Dice metric | 0.875 |
| MW: | 138.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+587 more
