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DocumentationIdentifier: MM279600
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM279600 |
| SMILES |
CC#CC(=O)OCCOC
|
| InChIKey |
XQNFLEDDTOUJJY-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.2
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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MM46530
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| Tanimoto metric | 0.8851 |
|---|---|
| Cosine metric | 0.9408 |
| Dice metric | 0.939 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7938 |
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| Cosine metric | 0.8851 |
| Dice metric | 0.8851 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.48 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM48764
Similarity: 0.7931
Similarity to MM48764
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
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| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+406 more
