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DocumentationIdentifier: MM140111
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM140111 |
| SMILES |
CC(=O)C(F)(C=O)C=O
|
| InChIKey |
KXHXNUVOLWLPSU-UHFFFAOYSA-N
|
| MW [Da] |
132.09
Automatically obtained from RDkit software. |
| LogP |
-0.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM28744
Similarity: 0.881
Similarity to MM28744
| Tanimoto metric | 0.881 |
|---|---|
| Cosine metric | 0.9386 |
| Dice metric | 0.9367 |
| MW: | 118.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM140054
Similarity: 0.75
Similarity to MM140054
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8597 |
| Dice metric | 0.8571 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM40602
Similarity: 0.7115
Similarity to MM40602
| Tanimoto metric | 0.7115 |
|---|---|
| Cosine metric | 0.8328 |
| Dice metric | 0.8315 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+27 more
