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DocumentationIdentifier: MM222647
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM222647 |
| SMILES |
CC(O)C(=N)NC(C)(C)C
|
| InChIKey |
CDLLBDGCWIFEAI-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM246010
Similarity: 0.7029
Similarity to MM246010
| Tanimoto metric | 0.7029 |
|---|---|
| Cosine metric | 0.8268 |
| Dice metric | 0.8255 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108355
Similarity: 0.7027
Similarity to MM108355
| Tanimoto metric | 0.7027 |
|---|---|
| Cosine metric | 0.8383 |
| Dice metric | 0.8254 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM246008
Similarity: 0.6978
Similarity to MM246008
| Tanimoto metric | 0.6978 |
|---|---|
| Cosine metric | 0.8235 |
| Dice metric | 0.822 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+542 more
