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DocumentationIdentifier: MM376418
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376418 |
| SMILES |
C#CC(C)C(CF)OC=O
|
| InChIKey |
LRSCPSKNFLIXEE-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
0.77
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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| Tanimoto metric | 0.7008 |
|---|---|
| Cosine metric | 0.8371 |
| Dice metric | 0.8241 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6929 |
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| Cosine metric | 0.8324 |
| Dice metric | 0.8186 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 0.82 |
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Total active interactions
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MM407029
Similarity: 0.6497
Similarity to MM407029
| Tanimoto metric | 0.6497 |
|---|---|
| Cosine metric | 0.7878 |
| Dice metric | 0.7876 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+96 more
