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DocumentationIdentifier: MM94788
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94788 |
| SMILES |
C=C(C#N)C(C#N)NC=O
|
| InChIKey |
MZMDLXSOUHUQCC-UHFFFAOYSA-N
|
| MW [Da] |
135.13
Automatically obtained from RDkit software. |
| LogP |
-0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52291
Similarity: 0.7762
Similarity to MM52291
| Tanimoto metric | 0.7762 |
|---|---|
| Cosine metric | 0.881 |
| Dice metric | 0.874 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172782
Similarity: 0.7413
Similarity to MM172782
| Tanimoto metric | 0.7413 |
|---|---|
| Cosine metric | 0.861 |
| Dice metric | 0.8514 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378682
Similarity: 0.6236
Similarity to MM378682
| Tanimoto metric | 0.6236 |
|---|---|
| Cosine metric | 0.7682 |
| Dice metric | 0.7682 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+66 more
