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DocumentationIdentifier: MM444092
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM444092 |
| SMILES |
C#CC1NC1C(C)C#CC
|
| InChIKey |
ZUUIPAGUXOJOJX-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
0.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM438760
Similarity: 0.8247
Similarity to MM438760
| Tanimoto metric | 0.8247 |
|---|---|
| Cosine metric | 0.9041 |
| Dice metric | 0.904 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM211159
Similarity: 0.8
Similarity to MM211159
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 119.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM443997
Similarity: 0.6864
Similarity to MM443997
| Tanimoto metric | 0.6864 |
|---|---|
| Cosine metric | 0.8144 |
| Dice metric | 0.814 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+241 more
