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DocumentationIdentifier: MM231352
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM231352 |
| SMILES |
O=C(CCCF)C(F)(F)F
|
| InChIKey |
KOIWGUYMFSLFNM-UHFFFAOYSA-N
|
| MW [Da] |
158.09
Automatically obtained from RDkit software. |
| LogP |
1.87
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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MM162386
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| Tanimoto metric | 0.8171 |
|---|---|
| Cosine metric | 0.9039 |
| Dice metric | 0.8993 |
| MW: | 140.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8337 |
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| MW: | 122.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.62 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM144600
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Similarity to MM144600
| Tanimoto metric | 0.686 |
|---|---|
| Cosine metric | 0.8209 |
| Dice metric | 0.8138 |
| MW: | 140.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+318 more
