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DocumentationIdentifier: MM139119
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM139119 |
| SMILES |
N#CC#CC(F)(F)C#N
|
| InChIKey |
VZLYATCJOXEOHP-UHFFFAOYSA-N
|
| MW [Da] |
126.07
Automatically obtained from RDkit software. |
| LogP |
0.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM103235
Similarity: 0.825
Similarity to MM103235
| Tanimoto metric | 0.825 |
|---|---|
| Cosine metric | 0.9083 |
| Dice metric | 0.9041 |
| MW: | 115.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM102908
Similarity: 0.725
Similarity to MM102908
| Tanimoto metric | 0.725 |
|---|---|
| Cosine metric | 0.8515 |
| Dice metric | 0.8406 |
| MW: | 115.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139093
Similarity: 0.7174
Similarity to MM139093
| Tanimoto metric | 0.7174 |
|---|---|
| Cosine metric | 0.8355 |
| Dice metric | 0.8354 |
| MW: | 133.07 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+119 more
