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DocumentationIdentifier: MM40774
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM40774 |
| SMILES |
N#CC(C#N)(C=O)C(=N)N
|
| InChIKey |
SYKNKPAOFCDZMP-UHFFFAOYSA-N
|
| MW [Da] |
136.11
Automatically obtained from RDkit software. |
| LogP |
-0.85
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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MM44266
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| Tanimoto metric | 0.845 |
|---|---|
| Cosine metric | 0.9192 |
| Dice metric | 0.916 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM56982
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| Tanimoto metric | 0.6336 |
|---|---|
| Cosine metric | 0.7926 |
| Dice metric | 0.7757 |
| MW: | 133.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.52 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM117058
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Similarity to MM117058
| Tanimoto metric | 0.6202 |
|---|---|
| Cosine metric | 0.7875 |
| Dice metric | 0.7656 |
| MW: | 111.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+9 more
