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DocumentationIdentifier: MM350076
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350076 |
| SMILES |
O=C(CCCF)C(F)CF
|
| InChIKey |
QXMNFUANKDJUPF-UHFFFAOYSA-N
|
| MW [Da] |
154.13
Automatically obtained from RDkit software. |
| LogP |
1.61
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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MM172916
Similarity: 0.875
Similarity to MM172916
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 136.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47925
Similarity: 0.7708
Similarity to MM47925
| Tanimoto metric | 0.7708 |
|---|---|
| Cosine metric | 0.878 |
| Dice metric | 0.8706 |
| MW: | 136.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM111730
Similarity: 0.7083
Similarity to MM111730
| Tanimoto metric | 0.7083 |
|---|---|
| Cosine metric | 0.8416 |
| Dice metric | 0.8293 |
| MW: | 122.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+370 more
