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DocumentationIdentifier: MM412018
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM412018 |
| SMILES |
C#CC1CN1C(C)C=O
|
| InChIKey |
AFHGRQNKCMANHW-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
-0.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM417805
Similarity: 0.8373
Similarity to MM417805
| Tanimoto metric | 0.8373 |
|---|---|
| Cosine metric | 0.9151 |
| Dice metric | 0.9115 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM415344
Similarity: 0.7853
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| Tanimoto metric | 0.7853 |
|---|---|
| Cosine metric | 0.8862 |
| Dice metric | 0.8797 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355243
Similarity: 0.7626
Similarity to MM355243
| Tanimoto metric | 0.7626 |
|---|---|
| Cosine metric | 0.8733 |
| Dice metric | 0.8653 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+244 more
