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DocumentationIdentifier: MM417278
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM417278 |
| SMILES |
CCC(=O)OC(C=O)C=O
|
| InChIKey |
GEFSDEZLOHVXDX-UHFFFAOYSA-N
|
| MW [Da] |
144.13
Automatically obtained from RDkit software. |
| LogP |
-0.29
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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MM142293
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| Tanimoto metric | 0.9121 |
|---|---|
| Cosine metric | 0.955 |
| Dice metric | 0.954 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7692 |
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| Cosine metric | 0.8771 |
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| MW: | 130.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM262728
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Similarity to MM262728
| Tanimoto metric | 0.7685 |
|---|---|
| Cosine metric | 0.8701 |
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| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+328 more
