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DocumentationIdentifier: MM156461
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM156461 |
| SMILES |
C=CCC(=C)OCCO
|
| InChIKey |
WDDXRNGOOXWRMU-UHFFFAOYSA-N
|
| MW [Da] |
128.17
Automatically obtained from RDkit software. |
| LogP |
1.09
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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MM113099
Similarity: 0.7778
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| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107422
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| Tanimoto metric | 0.7778 |
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| Cosine metric | 0.8819 |
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| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM45861
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Similarity to MM45861
| Tanimoto metric | 0.725 |
|---|---|
| Cosine metric | 0.8414 |
| Dice metric | 0.8406 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+498 more
