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DocumentationIdentifier: MM141946
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM141946 |
| SMILES |
O=C(CO)CC(O)CF
|
| InChIKey |
FPLMVSOAAJWTQJ-UHFFFAOYSA-N
|
| MW [Da] |
136.12
Automatically obtained from RDkit software. |
| LogP |
-0.73
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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MM244917
Similarity: 0.7881
Similarity to MM244917
| Tanimoto metric | 0.7881 |
|---|---|
| Cosine metric | 0.8878 |
| Dice metric | 0.8815 |
| MW: | 154.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.8614 |
| Dice metric | 0.8519 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM172912
Similarity: 0.6579
Similarity to MM172912
| Tanimoto metric | 0.6579 |
|---|---|
| Cosine metric | 0.7938 |
| Dice metric | 0.7937 |
| MW: | 136.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+415 more
