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DocumentationIdentifier: MM264456
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM264456 |
| SMILES |
C=C(CO)NC(=O)C=CN
|
| InChIKey |
QQYJKGKJRQWTBT-UHFFFAOYSA-N
|
| MW [Da] |
142.16
Automatically obtained from RDkit software. |
| LogP |
-0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142715
Similarity: 0.811
Similarity to MM142715
| Tanimoto metric | 0.811 |
|---|---|
| Cosine metric | 0.9006 |
| Dice metric | 0.8957 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264457
Similarity: 0.6753
Similarity to MM264457
| Tanimoto metric | 0.6753 |
|---|---|
| Cosine metric | 0.8063 |
| Dice metric | 0.8062 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60045
Similarity: 0.6667
Similarity to MM60045
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8026 |
| Dice metric | 0.8 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+310 more
