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DocumentationIdentifier: MM72557
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM72557 |
| SMILES |
C#CC(C(=N)N)C(=O)CC
|
| InChIKey |
NVFQNQXUFZGGOF-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160494
Similarity: 0.6707
Similarity to MM160494
| Tanimoto metric | 0.6707 |
|---|---|
| Cosine metric | 0.8189 |
| Dice metric | 0.8029 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM390144
Similarity: 0.6368
Similarity to MM390144
| Tanimoto metric | 0.6368 |
|---|---|
| Cosine metric | 0.7782 |
| Dice metric | 0.7781 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM297458
Similarity: 0.5628
Similarity to MM297458
| Tanimoto metric | 0.5628 |
|---|---|
| Cosine metric | 0.7222 |
| Dice metric | 0.7203 |
| MW: | 146.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+46 more
