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DocumentationIdentifier: MM229860
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229860 |
| SMILES |
C#CC(F)(C=O)C(C)(F)F
|
| InChIKey |
JYDBPNXBEKEJCE-UHFFFAOYSA-N
|
| MW [Da] |
150.1
Automatically obtained from RDkit software. |
| LogP |
1.18
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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MM306748
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| Tanimoto metric | 0.6382 |
|---|---|
| Cosine metric | 0.7806 |
| Dice metric | 0.7791 |
| MW: | 142.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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| Cosine metric | 0.7974 |
| Dice metric | 0.7774 |
| MW: | 136.07 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
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| AI: | 0
Total active interactions
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MM229862
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Similarity to MM229862
| Tanimoto metric | 0.5773 |
|---|---|
| Cosine metric | 0.7384 |
| Dice metric | 0.732 |
| MW: | 154.06 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+42 more
