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DocumentationIdentifier: MM248554
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM248554 |
| SMILES |
C=C(C#N)OC(C)=C(F)F
|
| InChIKey |
SQBCIWPXQPAUKI-UHFFFAOYSA-N
|
| MW [Da] |
145.11
Automatically obtained from RDkit software. |
| LogP |
2.17
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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MM143200
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| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
| Dice metric | 0.8824 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM134431
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| Cosine metric | 0.8429 |
| Dice metric | 0.8308 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.66 |
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|---|---|---|---|---|---|
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Total active interactions
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MM334483
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| Tanimoto metric | 0.7031 |
|---|---|
| Cosine metric | 0.8266 |
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| MW: | 138.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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