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DocumentationIdentifier: MM198852
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM198852 |
| SMILES |
N#CC(CF)NCCF
|
| InChIKey |
NCXRUCYAGJIUJH-UHFFFAOYSA-N
|
| MW [Da] |
134.13
Automatically obtained from RDkit software. |
| LogP |
0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM224199
Similarity: 0.7065
Similarity to MM224199
| Tanimoto metric | 0.7065 |
|---|---|
| Cosine metric | 0.8301 |
| Dice metric | 0.828 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326232
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Similarity to MM326232
| Tanimoto metric | 0.6932 |
|---|---|
| Cosine metric | 0.819 |
| Dice metric | 0.8188 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM38725
Similarity: 0.6923
Similarity to MM38725
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8193 |
| Dice metric | 0.8182 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+308 more
