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DocumentationIdentifier: MM221302
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM221302 |
| SMILES |
CC(C)(F)CC(=O)C=CN
|
| InChIKey |
UOANKDZZQFERCN-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
1.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM39998
Similarity: 0.7899
Similarity to MM39998
| Tanimoto metric | 0.7899 |
|---|---|
| Cosine metric | 0.8888 |
| Dice metric | 0.8826 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60030
Similarity: 0.7007
Similarity to MM60030
| Tanimoto metric | 0.7007 |
|---|---|
| Cosine metric | 0.8242 |
| Dice metric | 0.824 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM444835
Similarity: 0.6763
Similarity to MM444835
| Tanimoto metric | 0.6763 |
|---|---|
| Cosine metric | 0.8071 |
| Dice metric | 0.8069 |
| MW: | 146.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+346 more
