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DocumentationIdentifier: MM236976
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM236976 |
| SMILES |
N#CCNC(=N)CC(N)=O
|
| InChIKey |
VJKKDWQODMHNLR-UHFFFAOYSA-N
|
| MW [Da] |
140.15
Automatically obtained from RDkit software. |
| LogP |
-1.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM53949
Similarity: 0.7241
Similarity to MM53949
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.851 |
| Dice metric | 0.84 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM236975
Similarity: 0.6985
Similarity to MM236975
| Tanimoto metric | 0.6985 |
|---|---|
| Cosine metric | 0.8225 |
| Dice metric | 0.8225 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355845
Similarity: 0.629
Similarity to MM355845
| Tanimoto metric | 0.629 |
|---|---|
| Cosine metric | 0.7809 |
| Dice metric | 0.7723 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+105 more
