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DocumentationIdentifier: MM34419
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM34419 |
| SMILES |
CC(=O)C(F)CCO
|
| InChIKey |
UAKNRGVVNSKOJP-UHFFFAOYSA-N
|
| MW [Da] |
120.12
Automatically obtained from RDkit software. |
| LogP |
0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM35484
Similarity: 0.7381
Similarity to MM35484
| Tanimoto metric | 0.7381 |
|---|---|
| Cosine metric | 0.85 |
| Dice metric | 0.8493 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301426
Similarity: 0.6731
Similarity to MM301426
| Tanimoto metric | 0.6731 |
|---|---|
| Cosine metric | 0.8204 |
| Dice metric | 0.8046 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM98490
Similarity: 0.6571
Similarity to MM98490
| Tanimoto metric | 0.6571 |
|---|---|
| Cosine metric | 0.8106 |
| Dice metric | 0.7931 |
| MW: | 104.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+372 more
