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DocumentationIdentifier: MM62228
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM62228 |
| SMILES |
CC(CO)NC(=O)C(C)C
|
| InChIKey |
ZNQMHXVVPWSVEM-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142049
Similarity: 0.8208
Similarity to MM142049
| Tanimoto metric | 0.8208 |
|---|---|
| Cosine metric | 0.906 |
| Dice metric | 0.9016 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328675
Similarity: 0.75
Similarity to MM328675
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.858 |
| Dice metric | 0.8571 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64874
Similarity: 0.7016
Similarity to MM64874
| Tanimoto metric | 0.7016 |
|---|---|
| Cosine metric | 0.8247 |
| Dice metric | 0.8246 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+398 more
