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DocumentationIdentifier: MM351524
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM351524 |
| SMILES |
CC(C=O)C(=O)C(O)C#N
|
| InChIKey |
RECGITLSEHVGCZ-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
-0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47503
Similarity: 0.7029
Similarity to MM47503
| Tanimoto metric | 0.7029 |
|---|---|
| Cosine metric | 0.8384 |
| Dice metric | 0.8255 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61123
Similarity: 0.6185
Similarity to MM61123
| Tanimoto metric | 0.6185 |
|---|---|
| Cosine metric | 0.7644 |
| Dice metric | 0.7643 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM225743
Similarity: 0.5939
Similarity to MM225743
| Tanimoto metric | 0.5939 |
|---|---|
| Cosine metric | 0.7462 |
| Dice metric | 0.7452 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+99 more
