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DocumentationIdentifier: MM90716
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM90716 |
| SMILES |
CC(=CCC#N)C(O)C=O
|
| InChIKey |
SYKVSOHKZIBDPT-UHFFFAOYSA-N
|
| MW [Da] |
139.15
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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MM175265
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| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM360336
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| Tanimoto metric | 0.7557 |
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| Cosine metric | 0.862 |
| Dice metric | 0.8609 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM360177
Similarity: 0.7279
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| Tanimoto metric | 0.7279 |
|---|---|
| Cosine metric | 0.8429 |
| Dice metric | 0.8426 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+239 more
