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DocumentationIdentifier: MM306736
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM306736 |
| SMILES |
C#CC(F)(C=O)C(F)C#N
|
| InChIKey |
WNWURFPQUPKAPN-UHFFFAOYSA-N
|
| MW [Da] |
143.09
Automatically obtained from RDkit software. |
| LogP |
0.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42422
Similarity: 0.6328
Similarity to MM42422
| Tanimoto metric | 0.6328 |
|---|---|
| Cosine metric | 0.7955 |
| Dice metric | 0.7751 |
| MW: | 125.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM320274
Similarity: 0.6182
Similarity to MM320274
| Tanimoto metric | 0.6182 |
|---|---|
| Cosine metric | 0.7641 |
| Dice metric | 0.764 |
| MW: | 143.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306748
Similarity: 0.6176
Similarity to MM306748
| Tanimoto metric | 0.6176 |
|---|---|
| Cosine metric | 0.7657 |
| Dice metric | 0.7636 |
| MW: | 142.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+26 more
