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DocumentationIdentifier: MM423613
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM423613 |
| SMILES |
CC(OC=O)=C(C#N)C#N
|
| InChIKey |
NFHNLEJTWQCWCT-UHFFFAOYSA-N
|
| MW [Da] |
136.11
Automatically obtained from RDkit software. |
| LogP |
0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM175920
Similarity: 0.9009
Similarity to MM175920
| Tanimoto metric | 0.9009 |
|---|---|
| Cosine metric | 0.9492 |
| Dice metric | 0.9479 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM55805
Similarity: 0.6126
Similarity to MM55805
| Tanimoto metric | 0.6126 |
|---|---|
| Cosine metric | 0.7827 |
| Dice metric | 0.7598 |
| MW: | 122.08 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114810
Similarity: 0.5405
Similarity to MM114810
| Tanimoto metric | 0.5405 |
|---|---|
| Cosine metric | 0.7352 |
| Dice metric | 0.7018 |
| MW: | 111.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+37 more
