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DocumentationIdentifier: MM166331
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM166331 |
| SMILES |
C=C(CF)CCCCC
|
| InChIKey |
PDTQAVYAFBFHIH-UHFFFAOYSA-N
|
| MW [Da] |
130.21
Automatically obtained from RDkit software. |
| LogP |
3.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM112993
Similarity: 0.8596
Similarity to MM112993
| Tanimoto metric | 0.8596 |
|---|---|
| Cosine metric | 0.9272 |
| Dice metric | 0.9245 |
| MW: | 116.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166570
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| Tanimoto metric | 0.8095 |
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| Cosine metric | 0.8947 |
| Dice metric | 0.8947 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM364398
Similarity: 0.8028
Similarity to MM364398
| Tanimoto metric | 0.8028 |
|---|---|
| Cosine metric | 0.896 |
| Dice metric | 0.8906 |
| MW: | 145.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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