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DocumentationIdentifier: MM245638
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM245638 |
| SMILES |
CN=C(N)CC(N)C(N)=O
|
| InChIKey |
UIRFMKJHXBYNRQ-UHFFFAOYSA-N
|
| MW [Da] |
144.18
Automatically obtained from RDkit software. |
| LogP |
-1.82
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144824
Similarity: 0.6054
Similarity to MM144824
| Tanimoto metric | 0.6054 |
|---|---|
| Cosine metric | 0.7781 |
| Dice metric | 0.7542 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133710
Similarity: 0.5058
Similarity to MM133710
| Tanimoto metric | 0.5058 |
|---|---|
| Cosine metric | 0.678 |
| Dice metric | 0.6718 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM245652
Similarity: 0.4381
Similarity to MM245652
| Tanimoto metric | 0.4381 |
|---|---|
| Cosine metric | 0.6095 |
| Dice metric | 0.6093 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+18 more
