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DocumentationIdentifier: MM127461
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM127461 |
| SMILES |
CCN1C(C)C1C#N
|
| InChIKey |
NSNUWSRLVQULLC-UHFFFAOYSA-N
|
| MW [Da] |
110.16
Automatically obtained from RDkit software. |
| LogP |
0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM218781
Similarity: 0.8934
Similarity to MM218781
| Tanimoto metric | 0.8934 |
|---|---|
| Cosine metric | 0.9452 |
| Dice metric | 0.9437 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM102357
Similarity: 0.7798
Similarity to MM102357
| Tanimoto metric | 0.7798 |
|---|---|
| Cosine metric | 0.8831 |
| Dice metric | 0.8763 |
| MW: | 96.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM218778
Similarity: 0.7786
Similarity to MM218778
| Tanimoto metric | 0.7786 |
|---|---|
| Cosine metric | 0.8824 |
| Dice metric | 0.8755 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+259 more
