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DocumentationIdentifier: MM175463
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM175463 |
| SMILES |
CCC=C(F)C(=O)CF
|
| InChIKey |
ALMVGGHZPMCHQL-UHFFFAOYSA-N
|
| MW [Da] |
134.13
Automatically obtained from RDkit software. |
| LogP |
1.79
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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MM112309
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| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 120.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM108874
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| Tanimoto metric | 0.7449 |
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| Cosine metric | 0.8631 |
| Dice metric | 0.8538 |
| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM163877
Similarity: 0.7407
Similarity to MM163877
| Tanimoto metric | 0.7407 |
|---|---|
| Cosine metric | 0.8518 |
| Dice metric | 0.8511 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+380 more
