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DocumentationIdentifier: MM393268
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM393268 |
| SMILES |
C=C(C)C(C=O)CCOC
|
| InChIKey |
CUNQOOPKADLZJK-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.41
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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| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.9014 |
| Dice metric | 0.8966 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6978 |
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| Cosine metric | 0.8231 |
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| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.41 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM378024
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| Tanimoto metric | 0.6842 |
|---|---|
| Cosine metric | 0.8125 |
| Dice metric | 0.8125 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+293 more
