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DocumentationIdentifier: MM127856
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM127856 |
| SMILES |
C=CC1CN1CC#N
|
| InChIKey |
XHCLNJIZBVWIQS-UHFFFAOYSA-N
|
| MW [Da] |
108.14
Automatically obtained from RDkit software. |
| LogP |
0.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM194903
Similarity: 0.771
Similarity to MM194903
| Tanimoto metric | 0.771 |
|---|---|
| Cosine metric | 0.8781 |
| Dice metric | 0.8707 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM194904
Similarity: 0.7481
Similarity to MM194904
| Tanimoto metric | 0.7481 |
|---|---|
| Cosine metric | 0.865 |
| Dice metric | 0.8559 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM211028
Similarity: 0.7426
Similarity to MM211028
| Tanimoto metric | 0.7426 |
|---|---|
| Cosine metric | 0.8618 |
| Dice metric | 0.8523 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+193 more
