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DocumentationIdentifier: MM196472
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM196472 |
| SMILES |
CN1CC1C(=O)C=CN
|
| InChIKey |
SWKBKCDTOXVNHP-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
-0.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM124583
Similarity: 0.8012
Similarity to MM124583
| Tanimoto metric | 0.8012 |
|---|---|
| Cosine metric | 0.8951 |
| Dice metric | 0.8896 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM391028
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| Tanimoto metric | 0.7135 |
|---|---|
| Cosine metric | 0.8447 |
| Dice metric | 0.8328 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM196471
Similarity: 0.7065
Similarity to MM196471
| Tanimoto metric | 0.7065 |
|---|---|
| Cosine metric | 0.828 |
| Dice metric | 0.828 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+36 more
