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DocumentationIdentifier: MM217342
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM217342 |
| SMILES |
CCN1CC1C#CC#N
|
| InChIKey |
WFHYRZHYGUCUNK-UHFFFAOYSA-N
|
| MW [Da] |
120.16
Automatically obtained from RDkit software. |
| LogP |
0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM442450
Similarity: 0.8926
Similarity to MM442450
| Tanimoto metric | 0.8926 |
|---|---|
| Cosine metric | 0.9448 |
| Dice metric | 0.9433 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM442032
Similarity: 0.8867
Similarity to MM442032
| Tanimoto metric | 0.8867 |
|---|---|
| Cosine metric | 0.9416 |
| Dice metric | 0.9399 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM442317
Similarity: 0.8526
Similarity to MM442317
| Tanimoto metric | 0.8526 |
|---|---|
| Cosine metric | 0.9233 |
| Dice metric | 0.9204 |
| MW: | 131.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+228 more
