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DocumentationIdentifier: MM404053
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM404053 |
| SMILES |
CCOCCC(C=O)C=O
|
| InChIKey |
APMBPMYFTFEZPE-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.43
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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MM165947
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Similarity to MM165947
| Tanimoto metric | 0.8923 |
|---|---|
| Cosine metric | 0.9446 |
| Dice metric | 0.9431 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM199164
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| Tanimoto metric | 0.8615 |
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| Cosine metric | 0.9282 |
| Dice metric | 0.9256 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.04 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM112790
Similarity: 0.7538
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| Tanimoto metric | 0.7538 |
|---|---|
| Cosine metric | 0.8682 |
| Dice metric | 0.8596 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+255 more
