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DocumentationIdentifier: MM111438
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM111438 |
| SMILES |
N#CC(O)(C#N)CF
|
| InChIKey |
BEZSQZBPOGBTDW-UHFFFAOYSA-N
|
| MW [Da] |
114.08
Automatically obtained from RDkit software. |
| LogP |
-0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM97278
Similarity: 0.8033
Similarity to MM97278
| Tanimoto metric | 0.8033 |
|---|---|
| Cosine metric | 0.8963 |
| Dice metric | 0.8909 |
| MW: | 103.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53092
Similarity: 0.6854
Similarity to MM53092
| Tanimoto metric | 0.6854 |
|---|---|
| Cosine metric | 0.8279 |
| Dice metric | 0.8133 |
| MW: | 128.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35125
Similarity: 0.6712
Similarity to MM35125
| Tanimoto metric | 0.6712 |
|---|---|
| Cosine metric | 0.8033 |
| Dice metric | 0.8033 |
| MW: | 121.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+104 more
