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DocumentationIdentifier: MM197555
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM197555 |
| SMILES |
C#CC(C=O)C(N)=NC
|
| InChIKey |
OFHCUINWBOZQQE-UHFFFAOYSA-N
|
| MW [Da] |
124.14
Automatically obtained from RDkit software. |
| LogP |
-0.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47731
Similarity: 0.8209
Similarity to MM47731
| Tanimoto metric | 0.8209 |
|---|---|
| Cosine metric | 0.906 |
| Dice metric | 0.9016 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61969
Similarity: 0.7534
Similarity to MM61969
| Tanimoto metric | 0.7534 |
|---|---|
| Cosine metric | 0.868 |
| Dice metric | 0.8594 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM401512
Similarity: 0.7285
Similarity to MM401512
| Tanimoto metric | 0.7285 |
|---|---|
| Cosine metric | 0.8535 |
| Dice metric | 0.8429 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+92 more
