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DocumentationIdentifier: MM112528
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM112528 |
| SMILES |
OCCCC(O)CO
|
| InChIKey |
WEAYWASEBDOLRG-UHFFFAOYSA-N
|
| MW [Da] |
120.15
Automatically obtained from RDkit software. |
| LogP |
-0.89
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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MM26120
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| Tanimoto metric | 0.8205 |
|---|---|
| Cosine metric | 0.9058 |
| Dice metric | 0.9014 |
| MW: | 104.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8745 |
| Dice metric | 0.8667 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | -0.5 |
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Total active interactions
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MM104148
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Similarity to MM104148
| Tanimoto metric | 0.7347 |
|---|---|
| Cosine metric | 0.8499 |
| Dice metric | 0.8471 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+569 more
