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DocumentationIdentifier: MM348414
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM348414 |
| SMILES |
CC(C(O)CO)N(C)C=O
|
| InChIKey |
JQFJJWMISMPFLZ-UHFFFAOYSA-N
|
| MW [Da] |
147.17
Automatically obtained from RDkit software. |
| LogP |
-1.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160044
Similarity: 0.7394
Similarity to MM160044
| Tanimoto metric | 0.7394 |
|---|---|
| Cosine metric | 0.8599 |
| Dice metric | 0.8502 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171970
Similarity: 0.7113
Similarity to MM171970
| Tanimoto metric | 0.7113 |
|---|---|
| Cosine metric | 0.8434 |
| Dice metric | 0.8313 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141720
Similarity: 0.6056
Similarity to MM141720
| Tanimoto metric | 0.6056 |
|---|---|
| Cosine metric | 0.7782 |
| Dice metric | 0.7544 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+193 more
