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DocumentationIdentifier: MM224899
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM224899 |
| SMILES |
C=C(CO)COC(C)(C)C
|
| InChIKey |
RGRDJWIZAFMTGA-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.35
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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MM144622
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| Tanimoto metric | 0.84 |
|---|---|
| Cosine metric | 0.9165 |
| Dice metric | 0.913 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8133 |
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| Cosine metric | 0.9018 |
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| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.38 |
||||
|---|---|---|---|---|---|
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Total active interactions
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MM316864
Similarity: 0.6809
Similarity to MM316864
| Tanimoto metric | 0.6809 |
|---|---|
| Cosine metric | 0.8112 |
| Dice metric | 0.8101 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+406 more
