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DocumentationIdentifier: MM116080
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM116080 |
| SMILES |
N#CC(CF)NC=O
|
| InChIKey |
KTDZVJMYZUPWQN-UHFFFAOYSA-N
|
| MW [Da] |
116.1
Automatically obtained from RDkit software. |
| LogP |
-0.41
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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MM52188
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| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.8597 |
| Dice metric | 0.85 |
| MW: | 134.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.701 |
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| Cosine metric | 0.8373 |
| Dice metric | 0.8242 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM26279
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| Tanimoto metric | 0.6324 |
|---|---|
| Cosine metric | 0.7952 |
| Dice metric | 0.7748 |
| MW: | 98.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+141 more
