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DocumentationIdentifier: MM455367
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM455367 |
| SMILES |
N#CC(C#N)CNC1CC1
|
| InChIKey |
BTKRZYROQNEKJJ-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43997
Similarity: 0.8072
Similarity to MM43997
| Tanimoto metric | 0.8072 |
|---|---|
| Cosine metric | 0.8985 |
| Dice metric | 0.8933 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM97904
Similarity: 0.6747
Similarity to MM97904
| Tanimoto metric | 0.6747 |
|---|---|
| Cosine metric | 0.8214 |
| Dice metric | 0.8058 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM121192
Similarity: 0.6145
Similarity to MM121192
| Tanimoto metric | 0.6145 |
|---|---|
| Cosine metric | 0.7839 |
| Dice metric | 0.7612 |
| MW: | 113.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+209 more
