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DocumentationIdentifier: MM150564
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM150564 |
| SMILES |
CC(=O)OC(C#N)=CF
|
| InChIKey |
OTGVMYGZRTTWBH-UHFFFAOYSA-N
|
| MW [Da] |
129.09
Automatically obtained from RDkit software. |
| LogP |
0.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM276312
Similarity: 0.8029
Similarity to MM276312
| Tanimoto metric | 0.8029 |
|---|---|
| Cosine metric | 0.8961 |
| Dice metric | 0.8907 |
| MW: | 147.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334493
Similarity: 0.7746
Similarity to MM334493
| Tanimoto metric | 0.7746 |
|---|---|
| Cosine metric | 0.8801 |
| Dice metric | 0.873 |
| MW: | 141.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM80728
Similarity: 0.7746
Similarity to MM80728
| Tanimoto metric | 0.7746 |
|---|---|
| Cosine metric | 0.8801 |
| Dice metric | 0.873 |
| MW: | 145.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+107 more
