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DocumentationIdentifier: MM52257
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM52257 |
| SMILES |
CC(C=O)(C=O)NCC=O
|
| InChIKey |
WXYSKZGKXWOUAA-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-1.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM309495
Similarity: 0.7528
Similarity to MM309495
| Tanimoto metric | 0.7528 |
|---|---|
| Cosine metric | 0.8601 |
| Dice metric | 0.859 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44714
Similarity: 0.7174
Similarity to MM44714
| Tanimoto metric | 0.7174 |
|---|---|
| Cosine metric | 0.8371 |
| Dice metric | 0.8354 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM289207
Similarity: 0.7174
Similarity to MM289207
| Tanimoto metric | 0.7174 |
|---|---|
| Cosine metric | 0.8371 |
| Dice metric | 0.8354 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+103 more
