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DocumentationIdentifier: MM262811
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262811 |
| SMILES |
C=CCC(=O)CC(F)C=C
|
| InChIKey |
XRSVSVXCOWPAMW-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
2.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142228
Similarity: 0.8725
Similarity to MM142228
| Tanimoto metric | 0.8725 |
|---|---|
| Cosine metric | 0.9341 |
| Dice metric | 0.9319 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135412
Similarity: 0.8137
Similarity to MM135412
| Tanimoto metric | 0.8137 |
|---|---|
| Cosine metric | 0.9021 |
| Dice metric | 0.8973 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM246113
Similarity: 0.748
Similarity to MM246113
| Tanimoto metric | 0.748 |
|---|---|
| Cosine metric | 0.8587 |
| Dice metric | 0.8559 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+173 more
