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DocumentationIdentifier: MM92943
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM92943 |
| SMILES |
CN(C=O)C=COCC#N
|
| InChIKey |
GRJLKGYLECOAJW-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM49491
Similarity: 0.8375
Similarity to MM49491
| Tanimoto metric | 0.8375 |
|---|---|
| Cosine metric | 0.9152 |
| Dice metric | 0.9116 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM56667
Similarity: 0.7875
Similarity to MM56667
| Tanimoto metric | 0.7875 |
|---|---|
| Cosine metric | 0.8874 |
| Dice metric | 0.8811 |
| MW: | 126.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM92899
Similarity: 0.764
Similarity to MM92899
| Tanimoto metric | 0.764 |
|---|---|
| Cosine metric | 0.8664 |
| Dice metric | 0.8662 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+112 more
