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DocumentationIdentifier: MM111422
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM111422 |
| SMILES |
CCC(F)(C#N)CC
|
| InChIKey |
HUGHCZILPQMRPR-UHFFFAOYSA-N
|
| MW [Da] |
115.15
Automatically obtained from RDkit software. |
| LogP |
2.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM25710
Similarity: 0.807
Similarity to MM25710
| Tanimoto metric | 0.807 |
|---|---|
| Cosine metric | 0.8983 |
| Dice metric | 0.8932 |
| MW: | 101.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139353
Similarity: 0.6867
Similarity to MM139353
| Tanimoto metric | 0.6867 |
|---|---|
| Cosine metric | 0.8287 |
| Dice metric | 0.8143 |
| MW: | 133.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM35205
Similarity: 0.6765
Similarity to MM35205
| Tanimoto metric | 0.6765 |
|---|---|
| Cosine metric | 0.807 |
| Dice metric | 0.807 |
| MW: | 112.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+355 more
