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DocumentationIdentifier: MM274774
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM274774 |
| SMILES |
C#CC(=CC(=N)N)NC=O
|
| InChIKey |
NPPMZLAEXOMJAU-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
-0.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM136505
Similarity: 0.7174
Similarity to MM136505
| Tanimoto metric | 0.7174 |
|---|---|
| Cosine metric | 0.847 |
| Dice metric | 0.8354 |
| MW: | 127.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274719
Similarity: 0.5917
Similarity to MM274719
| Tanimoto metric | 0.5917 |
|---|---|
| Cosine metric | 0.7437 |
| Dice metric | 0.7435 |
| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274721
Similarity: 0.5739
Similarity to MM274721
| Tanimoto metric | 0.5739 |
|---|---|
| Cosine metric | 0.7292 |
| Dice metric | 0.7292 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+20 more
