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DocumentationIdentifier: MM166071
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM166071 |
| SMILES |
C=CCCCC(F)C#N
|
| InChIKey |
YYCTVTGWSIYZHW-UHFFFAOYSA-N
|
| MW [Da] |
127.16
Automatically obtained from RDkit software. |
| LogP |
2.2
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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MM257903
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| Tanimoto metric | 0.7882 |
|---|---|
| Cosine metric | 0.8878 |
| Dice metric | 0.8816 |
| MW: | 141.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8639 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 2.04 |
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MM315982
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| Tanimoto metric | 0.7363 |
|---|---|
| Cosine metric | 0.8581 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.45 |
||||
|---|---|---|---|---|---|
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Total active interactions
|
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