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DocumentationIdentifier: MM174858
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM174858 |
| SMILES |
CCCC(=O)C(C)=CF
|
| InChIKey |
SFKHEKJTLKXLOP-UHFFFAOYSA-N
|
| MW [Da] |
130.16
Automatically obtained from RDkit software. |
| LogP |
2.23
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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MM354655
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| Tanimoto metric | 0.8716 |
|---|---|
| Cosine metric | 0.9336 |
| Dice metric | 0.9314 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8636 |
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| Cosine metric | 0.9293 |
| Dice metric | 0.9268 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.4 |
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Total active interactions
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MM354748
Similarity: 0.8407
Similarity to MM354748
| Tanimoto metric | 0.8407 |
|---|---|
| Cosine metric | 0.9169 |
| Dice metric | 0.9135 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+655 more
