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DocumentationIdentifier: MM130919
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM130919 |
| SMILES |
CC(F)=CC(C)(F)CN
|
| InChIKey |
BQJZPRAMYWPLTM-UHFFFAOYSA-N
|
| MW [Da] |
135.16
Automatically obtained from RDkit software. |
| LogP |
1.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM229621
Similarity: 0.871
Similarity to MM229621
| Tanimoto metric | 0.871 |
|---|---|
| Cosine metric | 0.9333 |
| Dice metric | 0.931 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227442
Similarity: 0.8182
Similarity to MM227442
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227441
Similarity: 0.777
Similarity to MM227441
| Tanimoto metric | 0.777 |
|---|---|
| Cosine metric | 0.8815 |
| Dice metric | 0.8745 |
| MW: | 149.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+570 more
