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DocumentationIdentifier: MM146550
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM146550 |
| SMILES |
CC(O)CC=C(F)CF
|
| InChIKey |
VTQKRKRDSFGVAZ-UHFFFAOYSA-N
|
| MW [Da] |
136.14
Automatically obtained from RDkit software. |
| LogP |
1.58
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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MM324254
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| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9075 |
| Dice metric | 0.9032 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7925 |
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| Cosine metric | 0.8902 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.97 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM103622
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Similarity to MM103622
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8649 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+723 more
