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DocumentationIdentifier: MM261535
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261535 |
| SMILES |
COCC(O)CC(C)C=O
|
| InChIKey |
RCUZZZKFMUFOLW-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.22
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 | 0.7755 |
|---|---|
| Cosine metric | 0.8806 |
| Dice metric | 0.8736 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6514 |
|---|---|
| Cosine metric | 0.792 |
| Dice metric | 0.7889 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM226325
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| Tanimoto metric | 0.6441 |
|---|---|
| Cosine metric | 0.7835 |
| Dice metric | 0.7835 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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