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DocumentationIdentifier: MM108261
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM108261 |
| SMILES |
CC(=O)C(O)CC#N
|
| InChIKey |
TWMLZQLGQBAOAR-UHFFFAOYSA-N
|
| MW [Da] |
113.12
Automatically obtained from RDkit software. |
| LogP |
-0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50112
Similarity: 0.7667
Similarity to MM50112
| Tanimoto metric | 0.7667 |
|---|---|
| Cosine metric | 0.8756 |
| Dice metric | 0.8679 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172515
Similarity: 0.7263
Similarity to MM172515
| Tanimoto metric | 0.7263 |
|---|---|
| Cosine metric | 0.8522 |
| Dice metric | 0.8415 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179873
Similarity: 0.69
Similarity to MM179873
| Tanimoto metric | 0.69 |
|---|---|
| Cosine metric | 0.8307 |
| Dice metric | 0.8166 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+207 more
