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DocumentationIdentifier: MM300079
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM300079 |
| SMILES |
CC#CC(=O)C(C)C(=N)N
|
| InChIKey |
HRQDOWATQSPJOU-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM234930
Similarity: 0.6667
Similarity to MM234930
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8002 |
| Dice metric | 0.8 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM74245
Similarity: 0.6505
Similarity to MM74245
| Tanimoto metric | 0.6505 |
|---|---|
| Cosine metric | 0.7886 |
| Dice metric | 0.7883 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM390144
Similarity: 0.6368
Similarity to MM390144
| Tanimoto metric | 0.6368 |
|---|---|
| Cosine metric | 0.7788 |
| Dice metric | 0.7781 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+15 more
