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DocumentationIdentifier: MM53382
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM53382 |
| SMILES |
C=CC(=O)C(CO)CF
|
| InChIKey |
AUWURTWQWGWZMK-UHFFFAOYSA-N
|
| MW [Da] |
132.13
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 |
Similar entries
MM38644
Similarity: 0.6852
Similarity to MM38644
| Tanimoto metric | 0.6852 |
|---|---|
| Cosine metric | 0.8278 |
| Dice metric | 0.8132 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111839
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Similarity to MM111839
| Tanimoto metric | 0.6389 |
|---|---|
| Cosine metric | 0.7993 |
| Dice metric | 0.7797 |
| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM197247
Similarity: 0.575
Similarity to MM197247
| Tanimoto metric | 0.575 |
|---|---|
| Cosine metric | 0.7377 |
| Dice metric | 0.7302 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+418 more
