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DocumentationIdentifier: MM106461
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM106461 |
| SMILES |
CNCC#CC(N)=O
|
| InChIKey |
OALAYFXGWWOTQT-UHFFFAOYSA-N
|
| MW [Da] |
112.13
Automatically obtained from RDkit software. |
| LogP |
-1.31
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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MM154598
Similarity: 0.8361
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| Tanimoto metric | 0.8361 |
|---|---|
| Cosine metric | 0.9144 |
| Dice metric | 0.9107 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM154622
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| Tanimoto metric | 0.8095 |
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| Cosine metric | 0.8997 |
| Dice metric | 0.8947 |
| MW: | 126.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM35730
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| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8997 |
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| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+219 more
