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DocumentationIdentifier: MM171211
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171211 |
| SMILES |
N#CC(F)=CCOC=O
|
| InChIKey |
JKVCJIRCKNQSKO-UHFFFAOYSA-N
|
| MW [Da] |
129.09
Automatically obtained from RDkit software. |
| LogP |
0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM114772
Similarity: 0.7927
Similarity to MM114772
| Tanimoto metric | 0.7927 |
|---|---|
| Cosine metric | 0.8903 |
| Dice metric | 0.8844 |
| MW: | 115.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM106567
Similarity: 0.7195
Similarity to MM106567
| Tanimoto metric | 0.7195 |
|---|---|
| Cosine metric | 0.8482 |
| Dice metric | 0.8369 |
| MW: | 118.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171156
Similarity: 0.6915
Similarity to MM171156
| Tanimoto metric | 0.6915 |
|---|---|
| Cosine metric | 0.818 |
| Dice metric | 0.8176 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+132 more
