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DocumentationIdentifier: MM97408
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM97408 |
| SMILES |
CC(=O)CNC=O
|
| InChIKey |
CAQXYVTYTTXGKW-UHFFFAOYSA-N
|
| MW [Da] |
101.11
Automatically obtained from RDkit software. |
| LogP |
-0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM356109
Similarity: 0.7119
Similarity to MM356109
| Tanimoto metric | 0.7119 |
|---|---|
| Cosine metric | 0.8437 |
| Dice metric | 0.8317 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113158
Similarity: 0.7
Similarity to MM113158
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8235 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103459
Similarity: 0.7
Similarity to MM103459
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8235 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+64 more
