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DocumentationIdentifier: MM345369
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM345369 |
| SMILES |
C#CC1NC1C(C)(C)C#C
|
| InChIKey |
HLYLHUSIBHVUFK-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
MM211159
Similarity: 0.8045
Similarity to MM211159
| Tanimoto metric | 0.8045 |
|---|---|
| Cosine metric | 0.8969 |
| Dice metric | 0.8916 |
| MW: | 119.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM151855
Similarity: 0.7263
Similarity to MM151855
| Tanimoto metric | 0.7263 |
|---|---|
| Cosine metric | 0.8522 |
| Dice metric | 0.8414 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM438760
Similarity: 0.689
Similarity to MM438760
| Tanimoto metric | 0.689 |
|---|---|
| Cosine metric | 0.8159 |
| Dice metric | 0.8159 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+259 more
