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DocumentationIdentifier: MM305280
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305280 |
| SMILES |
CCC#CCN(C)C(C)=O
|
| InChIKey |
GHTQDNQNAMJARE-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163084
Similarity: 0.8351
Similarity to MM163084
| Tanimoto metric | 0.8351 |
|---|---|
| Cosine metric | 0.9138 |
| Dice metric | 0.9101 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM408763
Similarity: 0.7921
Similarity to MM408763
| Tanimoto metric | 0.7921 |
|---|---|
| Cosine metric | 0.8863 |
| Dice metric | 0.884 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73742
Similarity: 0.7615
Similarity to MM73742
| Tanimoto metric | 0.7615 |
|---|---|
| Cosine metric | 0.8646 |
| Dice metric | 0.8646 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+280 more
