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DocumentationIdentifier: MM79526
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM79526 |
| SMILES |
N#CC(F)=COC(=O)CO
|
| InChIKey |
UOLWTIGPYATVBA-UHFFFAOYSA-N
|
| MW [Da] |
145.09
Automatically obtained from RDkit software. |
| LogP |
-0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146717
Similarity: 0.7967
Similarity to MM146717
| Tanimoto metric | 0.7967 |
|---|---|
| Cosine metric | 0.8926 |
| Dice metric | 0.8869 |
| MW: | 129.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253270
Similarity: 0.6934
Similarity to MM253270
| Tanimoto metric | 0.6934 |
|---|---|
| Cosine metric | 0.8205 |
| Dice metric | 0.819 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM325717
Similarity: 0.6759
Similarity to MM325717
| Tanimoto metric | 0.6759 |
|---|---|
| Cosine metric | 0.8066 |
| Dice metric | 0.8066 |
| MW: | 141.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+165 more
