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DocumentationIdentifier: MM356742
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM356742 |
| SMILES |
C=CCCC(=N)NC=CF
|
| InChIKey |
XCQKZUYTKOPGHA-UHFFFAOYSA-N
|
| MW [Da] |
142.18
Automatically obtained from RDkit software. |
| LogP |
1.96
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156844
Similarity: 0.8431
Similarity to MM156844
| Tanimoto metric | 0.8431 |
|---|---|
| Cosine metric | 0.9182 |
| Dice metric | 0.9149 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156511
Similarity: 0.8039
Similarity to MM156511
| Tanimoto metric | 0.8039 |
|---|---|
| Cosine metric | 0.8966 |
| Dice metric | 0.8913 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM356522
Similarity: 0.7768
Similarity to MM356522
| Tanimoto metric | 0.7768 |
|---|---|
| Cosine metric | 0.8746 |
| Dice metric | 0.8744 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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