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DocumentationIdentifier: MM273925
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM273925 |
| SMILES |
C#CC(=CC=C)NC(C)=N
|
| InChIKey |
IHEIJGNMUNEMSE-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
1.28
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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MM150586
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Similarity to MM150586
| Tanimoto metric | 0.8092 |
|---|---|
| Cosine metric | 0.8995 |
| Dice metric | 0.8945 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7099 |
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| Cosine metric | 0.8426 |
| Dice metric | 0.8304 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM81853
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| Tanimoto metric | 0.7023 |
|---|---|
| Cosine metric | 0.838 |
| Dice metric | 0.8251 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+202 more
