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DocumentationIdentifier: MM364124
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM364124 |
| SMILES |
C#CCCCCC(F)C=O
|
| InChIKey |
JGYWDFDCARWHHG-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
1.72
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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MM166195
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| Tanimoto metric | 0.7848 |
|---|---|
| Cosine metric | 0.88 |
| Dice metric | 0.8794 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
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Total active interactions
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MM112779
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| Tanimoto metric | 0.6849 |
|---|---|
| Cosine metric | 0.8276 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+239 more
