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DocumentationIdentifier: MM52844
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM52844 |
| SMILES |
N#CC(NC=O)=C(N)N
|
| InChIKey |
FTFINAUZSPUBJM-UHFFFAOYSA-N
|
| MW [Da] |
126.12
Automatically obtained from RDkit software. |
| LogP |
-1.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM38122
Similarity: 0.7526
Similarity to MM38122
| Tanimoto metric | 0.7526 |
|---|---|
| Cosine metric | 0.8675 |
| Dice metric | 0.8588 |
| MW: | 111.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87226
Similarity: 0.7405
Similarity to MM87226
| Tanimoto metric | 0.7405 |
|---|---|
| Cosine metric | 0.8605 |
| Dice metric | 0.8509 |
| MW: | 140.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM276299
Similarity: 0.7293
Similarity to MM276299
| Tanimoto metric | 0.7293 |
|---|---|
| Cosine metric | 0.854 |
| Dice metric | 0.8435 |
| MW: | 140.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+90 more
