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DocumentationIdentifier: MM284943
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM284943 |
| SMILES |
CC(=CCC=CF)CC#N
|
| InChIKey |
IJEIIMJUECAAOQ-UHFFFAOYSA-N
|
| MW [Da] |
139.17
Automatically obtained from RDkit software. |
| LogP |
2.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM159587
Similarity: 0.7973
Similarity to MM159587
| Tanimoto metric | 0.7973 |
|---|---|
| Cosine metric | 0.8929 |
| Dice metric | 0.8872 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM284941
Similarity: 0.7375
Similarity to MM284941
| Tanimoto metric | 0.7375 |
|---|---|
| Cosine metric | 0.8507 |
| Dice metric | 0.8489 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM404503
Similarity: 0.6707
Similarity to MM404503
| Tanimoto metric | 0.6707 |
|---|---|
| Cosine metric | 0.8055 |
| Dice metric | 0.8029 |
| MW: | 142.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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