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DocumentationIdentifier: MM144132
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM144132 |
| SMILES |
CC(F)CCC(F)C#N
|
| InChIKey |
WERJLGUMABTEEJ-UHFFFAOYSA-N
|
| MW [Da] |
133.14
Automatically obtained from RDkit software. |
| LogP |
1.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM316007
Similarity: 0.9688
Similarity to MM316007
| Tanimoto metric | 0.9688 |
|---|---|
| Cosine metric | 0.9843 |
| Dice metric | 0.9841 |
| MW: | 144.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM315579
Similarity: 0.8158
Similarity to MM315579
| Tanimoto metric | 0.8158 |
|---|---|
| Cosine metric | 0.9032 |
| Dice metric | 0.8986 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM36158
Similarity: 0.8065
Similarity to MM36158
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.898 |
| Dice metric | 0.8929 |
| MW: | 119.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+360 more
