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DocumentationIdentifier: MM250772
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250772 |
| SMILES |
CC(=O)NCC(C)OC=O
|
| InChIKey |
ACUIAHHGLFDVEN-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-0.32
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: 0.8241
Similarity to MM43703
| Tanimoto metric | 0.8241 |
|---|---|
| Cosine metric | 0.9078 |
| Dice metric | 0.9036 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250659
Similarity: 0.7521
Similarity to MM250659
| Tanimoto metric | 0.7521 |
|---|---|
| Cosine metric | 0.8586 |
| Dice metric | 0.8585 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316670
Similarity: 0.7008
Similarity to MM316670
| Tanimoto metric | 0.7008 |
|---|---|
| Cosine metric | 0.8241 |
| Dice metric | 0.8241 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+351 more
