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DocumentationIdentifier: MM341934
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM341934 |
| SMILES |
CC(=O)C1NC1(C=O)C=O
|
| InChIKey |
UZVDBJACCGBMJF-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
-1.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM373532
Similarity: 0.9074
Similarity to MM373532
| Tanimoto metric | 0.9074 |
|---|---|
| Cosine metric | 0.9526 |
| Dice metric | 0.9515 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364157
Similarity: 0.75
Similarity to MM364157
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.859 |
| Dice metric | 0.8571 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM384825
Similarity: 0.6419
Similarity to MM384825
| Tanimoto metric | 0.6419 |
|---|---|
| Cosine metric | 0.791 |
| Dice metric | 0.7819 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+6 more
