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DocumentationIdentifier: MM145215
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM145215 |
| SMILES |
C#CC(=O)NCC(N)=O
|
| InChIKey |
QPWIHADQNXHXQY-UHFFFAOYSA-N
|
| MW [Da] |
126.12
Automatically obtained from RDkit software. |
| LogP |
-1.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM319811
Similarity: 0.8269
Similarity to MM319811
| Tanimoto metric | 0.8269 |
|---|---|
| Cosine metric | 0.9094 |
| Dice metric | 0.9053 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM251756
Similarity: 0.819
Similarity to MM251756
| Tanimoto metric | 0.819 |
|---|---|
| Cosine metric | 0.905 |
| Dice metric | 0.9005 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113444
Similarity: 0.6977
Similarity to MM113444
| Tanimoto metric | 0.6977 |
|---|---|
| Cosine metric | 0.8353 |
| Dice metric | 0.8219 |
| MW: | 111.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+259 more
