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DocumentationIdentifier: MM427726
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM427726 |
| SMILES |
C#CC(=O)C1N(C)C1(C)C
|
| InChIKey |
NTONDUADUOQIAK-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM395301
Similarity: 0.7491
Similarity to MM395301
| Tanimoto metric | 0.7491 |
|---|---|
| Cosine metric | 0.8655 |
| Dice metric | 0.8566 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7491 |
|---|---|
| Cosine metric | 0.8655 |
| Dice metric | 0.8566 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM429049
Similarity: 0.6885
Similarity to MM429049
| Tanimoto metric | 0.6885 |
|---|---|
| Cosine metric | 0.8177 |
| Dice metric | 0.8155 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+35 more
