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DocumentationIdentifier: MM237639
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM237639 |
| SMILES |
C#CC=CC(=O)CC(=N)N
|
| InChIKey |
MMAAKTCTVUUTMG-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM223402
Similarity: 0.7313
Similarity to MM223402
| Tanimoto metric | 0.7313 |
|---|---|
| Cosine metric | 0.845 |
| Dice metric | 0.8448 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264438
Similarity: 0.6781
Similarity to MM264438
| Tanimoto metric | 0.6781 |
|---|---|
| Cosine metric | 0.8087 |
| Dice metric | 0.8082 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM104643
Similarity: 0.6525
Similarity to MM104643
| Tanimoto metric | 0.6525 |
|---|---|
| Cosine metric | 0.8078 |
| Dice metric | 0.7897 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+15 more
