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DocumentationIdentifier: MM250659
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250659 |
| SMILES |
CCOC(C)CNC(C)=O
|
| InChIKey |
AACDYQRNHRRKAU-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43703
Similarity: 0.8558
Similarity to MM43703
| Tanimoto metric | 0.8558 |
|---|---|
| Cosine metric | 0.9251 |
| Dice metric | 0.9223 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250772
Similarity: 0.7521
Similarity to MM250772
| Tanimoto metric | 0.7521 |
|---|---|
| Cosine metric | 0.8586 |
| Dice metric | 0.8585 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316670
Similarity: 0.7236
Similarity to MM316670
| Tanimoto metric | 0.7236 |
|---|---|
| Cosine metric | 0.8398 |
| Dice metric | 0.8396 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+469 more
