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DocumentationIdentifier: MM59775
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM59775 |
| SMILES |
C#CC(C)(CN)OC=O
|
| InChIKey |
FRMJAGBVVXGRTI-UHFFFAOYSA-N
|
| MW [Da] |
127.14
Automatically obtained from RDkit software. |
| LogP |
-0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM54869
Similarity: 0.8509
Similarity to MM54869
| Tanimoto metric | 0.8509 |
|---|---|
| Cosine metric | 0.9224 |
| Dice metric | 0.9194 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60610
Similarity: 0.7462
Similarity to MM60610
| Tanimoto metric | 0.7462 |
|---|---|
| Cosine metric | 0.8638 |
| Dice metric | 0.8546 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312736
Similarity: 0.6644
Similarity to MM312736
| Tanimoto metric | 0.6644 |
|---|---|
| Cosine metric | 0.8151 |
| Dice metric | 0.7984 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+164 more
