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DocumentationIdentifier: MM247809
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM247809 |
| SMILES |
CC(C)C(F)=CC(F)CN
|
| InChIKey |
CEWOKZFTQMWDCA-UHFFFAOYSA-N
|
| MW [Da] |
149.18
Automatically obtained from RDkit software. |
| LogP |
1.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM58930
Similarity: 0.819
Similarity to MM58930
| Tanimoto metric | 0.819 |
|---|---|
| Cosine metric | 0.905 |
| Dice metric | 0.9005 |
| MW: | 135.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM134221
Similarity: 0.7241
Similarity to MM134221
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.851 |
| Dice metric | 0.84 |
| MW: | 134.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM267294
Similarity: 0.709
Similarity to MM267294
| Tanimoto metric | 0.709 |
|---|---|
| Cosine metric | 0.8298 |
| Dice metric | 0.8297 |
| MW: | 153.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+565 more
