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DocumentationIdentifier: MM170833
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM170833 |
| SMILES |
C=CC(=O)C#CC=CF
|
| InChIKey |
IMGPRMKFTZBAKY-UHFFFAOYSA-N
|
| MW [Da] |
124.11
Automatically obtained from RDkit software. |
| LogP |
1.23
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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MM158707
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| Tanimoto metric | 0.7882 |
|---|---|
| Cosine metric | 0.8817 |
| Dice metric | 0.8816 |
| MW: | 124.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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| Tanimoto metric | 0.7733 |
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| Cosine metric | 0.8794 |
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| MW: | 112.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.76 |
|---|---|
| Cosine metric | 0.8718 |
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| MW: | 106.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+317 more
