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DocumentationIdentifier: MM117058
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM117058 |
| SMILES |
N#CC(C=O)C(=N)N
|
| InChIKey |
VIVXOMVBVULSPE-UHFFFAOYSA-N
|
| MW [Da] |
111.1
Automatically obtained from RDkit software. |
| LogP |
-0.74
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM44266
Similarity: 0.7339
Similarity to MM44266
| Tanimoto metric | 0.7339 |
|---|---|
| Cosine metric | 0.8567 |
| Dice metric | 0.8466 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82263
Similarity: 0.625
Similarity to MM82263
| Tanimoto metric | 0.625 |
|---|---|
| Cosine metric | 0.7906 |
| Dice metric | 0.7692 |
| MW: | 97.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM40774
Similarity: 0.6202
Similarity to MM40774
| Tanimoto metric | 0.6202 |
|---|---|
| Cosine metric | 0.7875 |
| Dice metric | 0.7656 |
| MW: | 136.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+70 more
