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DocumentationIdentifier: MM293279
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM293279 |
| SMILES |
CCNC(=O)C(O)CC#N
|
| InChIKey |
ZCWUXLAYCPRAIY-UHFFFAOYSA-N
|
| MW [Da] |
142.16
Automatically obtained from RDkit software. |
| LogP |
-0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172539
Similarity: 0.8156
Similarity to MM172539
| Tanimoto metric | 0.8156 |
|---|---|
| Cosine metric | 0.9031 |
| Dice metric | 0.8984 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50244
Similarity: 0.773
Similarity to MM50244
| Tanimoto metric | 0.773 |
|---|---|
| Cosine metric | 0.8792 |
| Dice metric | 0.872 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM298299
Similarity: 0.6946
Similarity to MM298299
| Tanimoto metric | 0.6946 |
|---|---|
| Cosine metric | 0.8198 |
| Dice metric | 0.8198 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+195 more
