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DocumentationIdentifier: MM347012
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM347012 |
| SMILES |
C=C(C)OC=C(CO)CO
|
| InChIKey |
XWQDZGCUZWOTEU-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.41
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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MM146656
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| Tanimoto metric | 0.9146 |
|---|---|
| Cosine metric | 0.9564 |
| Dice metric | 0.9554 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.75 |
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| Cosine metric | 0.8588 |
| Dice metric | 0.8571 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
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Total active interactions
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MM79483
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| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8588 |
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| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+544 more
