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DocumentationIdentifier: MM44266
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM44266 |
| SMILES |
CC(C#N)(C=O)C(=N)N
|
| InChIKey |
MKAPENZWRSLZGK-UHFFFAOYSA-N
|
| MW [Da] |
125.13
Automatically obtained from RDkit software. |
| LogP |
-0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40774
Similarity: 0.845
Similarity to MM40774
| Tanimoto metric | 0.845 |
|---|---|
| Cosine metric | 0.9192 |
| Dice metric | 0.916 |
| MW: | 136.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM117058
Similarity: 0.7339
Similarity to MM117058
| Tanimoto metric | 0.7339 |
|---|---|
| Cosine metric | 0.8567 |
| Dice metric | 0.8466 |
| MW: | 111.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83196
Similarity: 0.6055
Similarity to MM83196
| Tanimoto metric | 0.6055 |
|---|---|
| Cosine metric | 0.7781 |
| Dice metric | 0.7543 |
| MW: | 111.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+94 more
