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DocumentationIdentifier: MM319870
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM319870 |
| SMILES |
CCC(O)C(F)(C=O)CO
|
| InChIKey |
ZUVQAPNSQKMELF-UHFFFAOYSA-N
|
| MW [Da] |
150.15
Automatically obtained from RDkit software. |
| LogP |
-0.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41542
Similarity: 0.7212
Similarity to MM41542
| Tanimoto metric | 0.7212 |
|---|---|
| Cosine metric | 0.8492 |
| Dice metric | 0.838 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41474
Similarity: 0.6485
Similarity to MM41474
| Tanimoto metric | 0.6485 |
|---|---|
| Cosine metric | 0.8053 |
| Dice metric | 0.7868 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM225513
Similarity: 0.5922
Similarity to MM225513
| Tanimoto metric | 0.5922 |
|---|---|
| Cosine metric | 0.7439 |
| Dice metric | 0.7439 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+154 more
