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DocumentationIdentifier: MM264869
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM264869 |
| SMILES |
C=C(CO)OC(=O)C#CC
|
| InChIKey |
XETZRMIXZQJETG-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
0.06
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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MM43264
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Similarity to MM43264
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8997 |
| Dice metric | 0.8947 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7698 |
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| Cosine metric | 0.8774 |
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| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM237850
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Similarity to MM237850
| Tanimoto metric | 0.6879 |
|---|---|
| Cosine metric | 0.8165 |
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| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+155 more
