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DocumentationIdentifier: MM80956
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM80956 |
| SMILES |
CC(C)=CC#CC(=N)N
|
| InChIKey |
XKLNUILDHYCYMQ-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
0.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM81045
Similarity: 0.8
Similarity to MM81045
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 108.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261089
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Similarity to MM261089
| Tanimoto metric | 0.7955 |
|---|---|
| Cosine metric | 0.8919 |
| Dice metric | 0.8861 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM261077
Similarity: 0.7609
Similarity to MM261077
| Tanimoto metric | 0.7609 |
|---|---|
| Cosine metric | 0.8723 |
| Dice metric | 0.8642 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+116 more
