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DocumentationIdentifier: MM177918
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM177918 |
| SMILES |
C#CCC(CF)OC=O
|
| InChIKey |
AGJNHDDLYFEYMI-UHFFFAOYSA-N
|
| MW [Da] |
130.12
Automatically obtained from RDkit software. |
| LogP |
0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM115973
Similarity: 0.7303
Similarity to MM115973
| Tanimoto metric | 0.7303 |
|---|---|
| Cosine metric | 0.8546 |
| Dice metric | 0.8442 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272399
Similarity: 0.7063
Similarity to MM272399
| Tanimoto metric | 0.7063 |
|---|---|
| Cosine metric | 0.8404 |
| Dice metric | 0.8279 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376418
Similarity: 0.7008
Similarity to MM376418
| Tanimoto metric | 0.7008 |
|---|---|
| Cosine metric | 0.8371 |
| Dice metric | 0.8241 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+165 more
