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DocumentationIdentifier: MM66416
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM66416 |
| SMILES |
C=C(CC(C)=O)C(O)C#N
|
| InChIKey |
IGYCAGBVVJSTFV-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40835
Similarity: 0.7034
Similarity to MM40835
| Tanimoto metric | 0.7034 |
|---|---|
| Cosine metric | 0.8387 |
| Dice metric | 0.8259 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351093
Similarity: 0.6688
Similarity to MM351093
| Tanimoto metric | 0.6688 |
|---|---|
| Cosine metric | 0.8045 |
| Dice metric | 0.8015 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM246242
Similarity: 0.6228
Similarity to MM246242
| Tanimoto metric | 0.6228 |
|---|---|
| Cosine metric | 0.7694 |
| Dice metric | 0.7675 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+141 more
