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DocumentationIdentifier: MM253544
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253544 |
| SMILES |
COCC(F)=COC(C)=O
|
| InChIKey |
DFIJIKAQRGJHKR-UHFFFAOYSA-N
|
| MW [Da] |
148.13
Automatically obtained from RDkit software. |
| LogP |
1.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM44336
Similarity: 0.8704
Similarity to MM44336
| Tanimoto metric | 0.8704 |
|---|---|
| Cosine metric | 0.9329 |
| Dice metric | 0.9307 |
| MW: | 134.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103657
Similarity: 0.6574
Similarity to MM103657
| Tanimoto metric | 0.6574 |
|---|---|
| Cosine metric | 0.8108 |
| Dice metric | 0.7933 |
| MW: | 118.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37355
Similarity: 0.6204
Similarity to MM37355
| Tanimoto metric | 0.6204 |
|---|---|
| Cosine metric | 0.7876 |
| Dice metric | 0.7657 |
| MW: | 120.08 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+252 more
