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DocumentationIdentifier: MM228370
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM228370 |
| SMILES |
C#CC(C)(C)N=CN(C)C
|
| InChIKey |
XGYMHXKRKZWNKL-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
0.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM145513
Similarity: 0.7882
Similarity to MM145513
| Tanimoto metric | 0.7882 |
|---|---|
| Cosine metric | 0.8878 |
| Dice metric | 0.8816 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM241259
Similarity: 0.74
Similarity to MM241259
| Tanimoto metric | 0.74 |
|---|---|
| Cosine metric | 0.8508 |
| Dice metric | 0.8506 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130472
Similarity: 0.6353
Similarity to MM130472
| Tanimoto metric | 0.6353 |
|---|---|
| Cosine metric | 0.7971 |
| Dice metric | 0.777 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+171 more
