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DocumentationIdentifier: MM267305
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM267305 |
| SMILES |
CNCC(F)=CC(F)CN
|
| InChIKey |
TZMLQDKAWYJOBK-UHFFFAOYSA-N
|
| MW [Da] |
150.17
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143313
Similarity: 0.7826
Similarity to MM143313
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8847 |
| Dice metric | 0.878 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84981
Similarity: 0.6696
Similarity to MM84981
| Tanimoto metric | 0.6696 |
|---|---|
| Cosine metric | 0.8183 |
| Dice metric | 0.8021 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM136163
Similarity: 0.6328
Similarity to MM136163
| Tanimoto metric | 0.6328 |
|---|---|
| Cosine metric | 0.7791 |
| Dice metric | 0.7751 |
| MW: | 135.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+414 more
