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DocumentationIdentifier: MM28057
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM28057 |
| SMILES |
CC(C#N)CNC(C)C=O
|
| InChIKey |
OFKZZQLQDBVOSZ-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43997
Similarity: 0.6703
Similarity to MM43997
| Tanimoto metric | 0.6703 |
|---|---|
| Cosine metric | 0.8083 |
| Dice metric | 0.8026 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28399
Similarity: 0.6174
Similarity to MM28399
| Tanimoto metric | 0.6174 |
|---|---|
| Cosine metric | 0.7663 |
| Dice metric | 0.7634 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227883
Similarity: 0.61
Similarity to MM227883
| Tanimoto metric | 0.61 |
|---|---|
| Cosine metric | 0.759 |
| Dice metric | 0.7578 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+212 more
