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DocumentationIdentifier: MM40667
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM40667 |
| SMILES |
CC(=O)NC=CC(C)O
|
| InChIKey |
SBKTUFSFCGIWGX-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
0.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM259978
Similarity: 0.8529
Similarity to MM259978
| Tanimoto metric | 0.8529 |
|---|---|
| Cosine metric | 0.9235 |
| Dice metric | 0.9206 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM259096
Similarity: 0.8208
Similarity to MM259096
| Tanimoto metric | 0.8208 |
|---|---|
| Cosine metric | 0.906 |
| Dice metric | 0.9016 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64296
Similarity: 0.8131
Similarity to MM64296
| Tanimoto metric | 0.8131 |
|---|---|
| Cosine metric | 0.9017 |
| Dice metric | 0.8969 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+629 more
