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DocumentationIdentifier: MM229533
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229533 |
| SMILES |
C=CC(C)(C#N)OC(C)=O
|
| InChIKey |
PTQNUFYSWMKKJS-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
1.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139571
Similarity: 0.7348
Similarity to MM139571
| Tanimoto metric | 0.7348 |
|---|---|
| Cosine metric | 0.8572 |
| Dice metric | 0.8472 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM330533
Similarity: 0.6689
Similarity to MM330533
| Tanimoto metric | 0.6689 |
|---|---|
| Cosine metric | 0.8035 |
| Dice metric | 0.8016 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130861
Similarity: 0.6515
Similarity to MM130861
| Tanimoto metric | 0.6515 |
|---|---|
| Cosine metric | 0.8072 |
| Dice metric | 0.789 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+72 more
