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DocumentationIdentifier: MM264362
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM264362 |
| SMILES |
CC(C=O)NC(=O)C=CN
|
| InChIKey |
CRKWRARZSHJFPP-UHFFFAOYSA-N
|
| MW [Da] |
142.16
Automatically obtained from RDkit software. |
| LogP |
-0.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM187283
Similarity: 0.7456
Similarity to MM187283
| Tanimoto metric | 0.7456 |
|---|---|
| Cosine metric | 0.8567 |
| Dice metric | 0.8543 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM300580
Similarity: 0.6583
Similarity to MM300580
| Tanimoto metric | 0.6583 |
|---|---|
| Cosine metric | 0.7962 |
| Dice metric | 0.794 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM330506
Similarity: 0.6324
Similarity to MM330506
| Tanimoto metric | 0.6324 |
|---|---|
| Cosine metric | 0.7753 |
| Dice metric | 0.7748 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+306 more
