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DocumentationIdentifier: MM345244
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM345244 |
| SMILES |
C=CC(C)(C)N1CC1C#N
|
| InChIKey |
ZLNIOGUHZOEMJV-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM211030
Similarity: 0.8293
Similarity to MM211030
| Tanimoto metric | 0.8293 |
|---|---|
| Cosine metric | 0.9106 |
| Dice metric | 0.9067 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM427949
Similarity: 0.7196
Similarity to MM427949
| Tanimoto metric | 0.7196 |
|---|---|
| Cosine metric | 0.837 |
| Dice metric | 0.8369 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM443845
Similarity: 0.7083
Similarity to MM443845
| Tanimoto metric | 0.7083 |
|---|---|
| Cosine metric | 0.8293 |
| Dice metric | 0.8293 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+82 more
