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DocumentationIdentifier: MM301426
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM301426 |
| SMILES |
CCOCCC(F)C(C)=O
|
| InChIKey |
SDYMLDZFRXFRAB-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
1.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM348836
Similarity: 0.736
Similarity to MM348836
| Tanimoto metric | 0.736 |
|---|---|
| Cosine metric | 0.8487 |
| Dice metric | 0.8479 |
| MW: | 150.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM165953
Similarity: 0.6923
Similarity to MM165953
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8321 |
| Dice metric | 0.8182 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34419
Similarity: 0.6731
Similarity to MM34419
| Tanimoto metric | 0.6731 |
|---|---|
| Cosine metric | 0.8204 |
| Dice metric | 0.8046 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+207 more
