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DocumentationIdentifier: MM318355
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM318355 |
| SMILES |
C#CC(O)CNC(=N)CO
|
| InChIKey |
CQKHWFNVMJVTME-UHFFFAOYSA-N
|
| MW [Da] |
142.16
Automatically obtained from RDkit software. |
| LogP |
-1.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144557
Similarity: 0.8214
Similarity to MM144557
| Tanimoto metric | 0.8214 |
|---|---|
| Cosine metric | 0.9063 |
| Dice metric | 0.902 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144638
Similarity: 0.75
Similarity to MM144638
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351525
Similarity: 0.7021
Similarity to MM351525
| Tanimoto metric | 0.7021 |
|---|---|
| Cosine metric | 0.8268 |
| Dice metric | 0.825 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+284 more
