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DocumentationIdentifier: MM51612
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM51612 |
| SMILES |
CN(C)C(C=O)CC#N
|
| InChIKey |
UNGAMGDJYBEJGA-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
0.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM412847
Similarity: 0.7791
Similarity to MM412847
| Tanimoto metric | 0.7791 |
|---|---|
| Cosine metric | 0.8826 |
| Dice metric | 0.8758 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43957
Similarity: 0.6935
Similarity to MM43957
| Tanimoto metric | 0.6935 |
|---|---|
| Cosine metric | 0.8328 |
| Dice metric | 0.819 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM131063
Similarity: 0.585
Similarity to MM131063
| Tanimoto metric | 0.585 |
|---|---|
| Cosine metric | 0.7649 |
| Dice metric | 0.7382 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+58 more
