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DocumentationIdentifier: MM15858
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15858 |
| SMILES |
N#CCOCC(F)C=O
|
| InChIKey |
KEERDMVMCBHGDO-UHFFFAOYSA-N
|
| MW [Da] |
131.11
Automatically obtained from RDkit software. |
| LogP |
0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM60647
Similarity: 0.7196
Similarity to MM60647
| Tanimoto metric | 0.7196 |
|---|---|
| Cosine metric | 0.8483 |
| Dice metric | 0.837 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM33331
Similarity: 0.7013
Similarity to MM33331
| Tanimoto metric | 0.7013 |
|---|---|
| Cosine metric | 0.8374 |
| Dice metric | 0.8244 |
| MW: | 117.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM165990
Similarity: 0.6854
Similarity to MM165990
| Tanimoto metric | 0.6854 |
|---|---|
| Cosine metric | 0.8136 |
| Dice metric | 0.8133 |
| MW: | 136.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+125 more
